CID 112005

Oxypinocamphone

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C2CC1C(C(=O)C2)(C)O)C
InChI
InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3
InChIKey
VZRRCQOUNSHSGB-UHFFFAOYSA-N
Compound name
2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

262
Patents

168.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 148.8
[M+Na]+ 191.10426 156.2
[M-H]- 167.10776 147.7
[M+NH4]+ 186.14886 170.8
[M+K]+ 207.07820 156.5
[M+H-H2O]+ 151.11230 142.2
[M+HCOO]- 213.11324 160.8
[M+CH3COO]- 227.12889 186.3
[M+Na-2H]- 189.08971 158.0
[M]+ 168.11449 160.4
[M]- 168.11559 160.4
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.