CID 99843

52557-98-9

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C2CCC(C2)C1C(=O)O)C
InChI
InChI=1S/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKey
KJKODDSNIDHCKV-UHFFFAOYSA-N
Compound name
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 139.4
[M+Na]+ 191.104258 147.2
[M-H]- 167.107764 141.2
[M+NH4]+ 186.148863 166.6
[M+K]+ 207.078198 145.0
[M+H-H2O]+ 151.112300 136.7
[M+HCOO]- 213.113241 158.3
[M+CH3COO]- 227.128891 177.8
[M+Na-2H]- 189.089706 141.6
[M]+ 168.11449142 138.2
[M]- 168.11558858 138.2
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