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

1597
Patents

152.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 144.3
[M+Na]+ 175.109338 150.9
[M-H]- 151.112844 142.9
[M+NH4]+ 170.153943 165.1
[M+K]+ 191.083278 150.8
[M+H-H2O]+ 135.117380 137.2
[M+HCOO]- 197.118321 156.3
[M+CH3COO]- 211.133971 184.6
[M+Na-2H]- 173.094786 152.5
[M]+ 152.11957142 154.1
[M]- 152.12066858 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

literature stripe

Patent stripe

patents stripe