PubChemLite - 2198-92-7 (C15H22O4)

Structural Information

Molecular Formula

SMILES

CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)CO

InChI

InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13?,14-,15?/m1/s1

InChIKey

ZSRVBNXAPSQDFY-CXOCQXMISA-N

Compound name

(2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-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]+	267.15908	161.2
[M+Na]+	289.14102	172.9
[M+NH4]+	284.18562	174.8
[M+K]+	305.11496	165.8
[M-H]-	265.14452	172.7
[M+Na-2H]-	287.12647	167.9
[M]+	266.15125	167.8
[M]-	266.15235	167.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

267.15908

161.2

[M+Na]+

289.14102

172.9

[M+NH4]+

284.18562

174.8

[M+K]+

305.11496

165.8

[M-H]-

265.14452

172.7

[M+Na-2H]-

287.12647

167.9

[M]+

266.15125

167.8

[M]-

266.15235

167.8

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

2198-92-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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