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 135.6
[M+Na]+ 191.10426 140.7
[M+NH4]+ 186.14886 142.9
[M+K]+ 207.07820 135.3
[M-H]- 167.10776 130.8
[M+Na-2H]- 189.08971 132.6
[M]+ 168.11449 133.8
[M]- 168.11559 133.8
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.