PubChemLite - (-)-ent-copalol (C20H34O)

Structural Information

Molecular Formula

SMILES

C/C(=C\CO)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C

InChI

InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18-,20+/m1/s1

InChIKey

NERNKRPBSOBEHC-PGHZQYBFSA-N

Compound name

(E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

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]+	291.26824	176.5
[M+Na]+	313.25018	185.6
[M+NH4]+	308.29478	187.3
[M+K]+	329.22412	174.1
[M-H]-	289.25368	178.1
[M+Na-2H]-	311.23563	180.2
[M]+	290.26041	178.4
[M]-	290.26151	178.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

291.26824

176.5

[M+Na]+

313.25018

185.6

[M+NH4]+

308.29478

187.3

[M+K]+

329.22412

174.1

[M-H]-

289.25368

178.1

[M+Na-2H]-

311.23563

180.2

[M]+

290.26041

178.4

[M]-

290.26151

178.4

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

(-)-ent-copalol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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