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

269
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

literature stripe

Patent stripe

patents stripe