CID 14080459

Ns00116641

Structural Information

Molecular Formula
C10H16O2
SMILES
CC12CCC(C1)C(C2=O)(C)CO
InChI
InChI=1S/C10H16O2/c1-9-4-3-7(5-9)10(2,6-11)8(9)12/h7,11H,3-6H2,1-2H3
InChIKey
HUCDGRHTEUBMQF-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1,3-dimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.4
[M+Na]+ 191.10426 146.6
[M-H]- 167.10776 139.5
[M+NH4]+ 186.14886 166.7
[M+K]+ 207.07820 143.7
[M+H-H2O]+ 151.11230 135.3
[M+HCOO]- 213.11324 157.4
[M+CH3COO]- 227.12889 176.7
[M+Na-2H]- 189.08971 142.2
[M]+ 168.11449 137.3
[M]- 168.11559 137.3
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

No patent data available for this compound.