CID 73828281

(-)-pacifigorgiol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C(CCC2(C1C=C(C)C)O)C
InChI
InChI=1S/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3
InChIKey
QGALFKRHZSPTEG-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.2
[M+Na]+ 245.187578 161.7
[M-H]- 221.191084 158.5
[M+NH4]+ 240.232183 179.2
[M+K]+ 261.161518 158.0
[M+H-H2O]+ 205.195620 152.1
[M+HCOO]- 267.196561 171.3
[M+CH3COO]- 281.212211 190.0
[M+Na-2H]- 243.173026 155.4
[M]+ 222.19781142 151.4
[M]- 222.19890858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe