CID 102667

Pinocarveol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CC1C(=C)C(C2)O)C
InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3
InChIKey
LCYXQUJDODZYIJ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

1574
Patents

152.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 144.3
[M+Na]+ 175.10934 150.9
[M-H]- 151.11284 142.9
[M+NH4]+ 170.15394 165.1
[M+K]+ 191.08328 150.8
[M+H-H2O]+ 135.11738 137.2
[M+HCOO]- 197.11832 156.3
[M+CH3COO]- 211.13397 184.6
[M+Na-2H]- 173.09479 152.5
[M]+ 152.11957 154.1
[M]- 152.12067 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.