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
6
Annotation Hits

13
References

1515
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

literature stripe

Patent stripe

patents stripe