PubChemLite - Dextromethorphan (C18H25NO)

Structural Information

Molecular Formula

SMILES

CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC

InChI

InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1

InChIKey

MKXZASYAUGDDCJ-NJAFHUGGSA-N

Compound name

(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.20088	166.0
[M+Na]+	294.18282	170.9
[M-H]-	270.18632	169.4
[M+NH4]+	289.22742	185.4
[M+K]+	310.15676	166.2
[M+H-H2O]+	254.19086	156.5
[M+HCOO]-	316.19180	177.5
[M+CH3COO]-	330.20745	175.5
[M+Na-2H]-	292.16827	170.4
[M]+	271.19305	160.6
[M]-	271.19415	160.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

272.20088

166.0

[M+Na]+

294.18282

170.9

[M-H]-

270.18632

169.4

[M+NH4]+

289.22742

185.4

[M+K]+

310.15676

166.2

[M+H-H2O]+

254.19086

156.5

[M+HCOO]-

316.19180

177.5

[M+CH3COO]-

330.20745

175.5

[M+Na-2H]-

292.16827

170.4

[M]+

271.19305

160.6

[M]-

271.19415

160.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dextromethorphan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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