CID 231979

76198-24-8

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C2CCC(C1C2)C(=O)O)C
InChI
InChI=1S/C10H16O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKey
FTWVTMKZNPJWOT-UHFFFAOYSA-N
Compound name
6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 148.7
[M+Na]+ 191.10426 153.8
[M-H]- 167.10776 146.8
[M+NH4]+ 186.14886 168.3
[M+K]+ 207.07820 154.8
[M+H-H2O]+ 151.11230 141.1
[M+HCOO]- 213.11324 159.8
[M+CH3COO]- 227.12889 186.3
[M+Na-2H]- 189.08971 156.3
[M]+ 168.11449 158.9
[M]- 168.11559 158.9
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.