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]+ 169.122316 137.4
[M+Na]+ 191.104258 146.6
[M-H]- 167.107764 139.5
[M+NH4]+ 186.148863 166.7
[M+K]+ 207.078198 143.7
[M+H-H2O]+ 151.112300 135.3
[M+HCOO]- 213.113241 157.4
[M+CH3COO]- 227.128891 176.7
[M+Na-2H]- 189.089706 142.2
[M]+ 168.11449142 137.3
[M]- 168.11558858 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.