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]+ 221.18999 170.7
[M+Na]+ 243.17193 175.3
[M-H]- 219.17543 168.4
[M+NH4]+ 238.21653 190.3
[M+K]+ 259.14587 173.7
[M+H-H2O]+ 203.17997 163.2
[M+HCOO]- 265.18091 180.0
[M+CH3COO]- 279.19656 196.9
[M+Na-2H]- 241.15738 176.1
[M]+ 220.18216 180.6
[M]- 220.18326 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.