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

1
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 148.7
[M+Na]+ 191.104258 153.8
[M-H]- 167.107764 146.8
[M+NH4]+ 186.148863 168.3
[M+K]+ 207.078198 154.8
[M+H-H2O]+ 151.112300 141.1
[M+HCOO]- 213.113241 159.8
[M+CH3COO]- 227.128891 186.3
[M+Na-2H]- 189.089706 156.3
[M]+ 168.11449142 158.9
[M]- 168.11558858 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

patents stripe