CID 165368734

Chebi:193167

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCC[C@]1([C@H]2C[C@@]1(CCC2=C)O)C)C
InChI
InChI=1S/C15H24O/c1-11(2)6-5-8-14(4)13-10-15(14,16)9-7-12(13)3/h6,13,16H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1
InChIKey
IFAXDPROEMVFHI-SOUVJXGZSA-N
Compound name
(1R,5S,6S)-6-methyl-4-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 170.7
[M+Na]+ 243.171928 175.3
[M-H]- 219.175434 168.4
[M+NH4]+ 238.216533 190.3
[M+K]+ 259.145868 173.7
[M+H-H2O]+ 203.179970 163.2
[M+HCOO]- 265.180911 180.0
[M+CH3COO]- 279.196561 196.9
[M+Na-2H]- 241.157376 176.1
[M]+ 220.18216142 180.6
[M]- 220.18325858 180.6
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

No patent data available for this compound.