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

27
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.4
[M+Na]+ 191.10426 147.2
[M-H]- 167.10776 141.2
[M+NH4]+ 186.14886 166.6
[M+K]+ 207.07820 145.0
[M+H-H2O]+ 151.11230 136.7
[M+HCOO]- 213.11324 158.3
[M+CH3COO]- 227.12889 177.8
[M+Na-2H]- 189.08971 141.6
[M]+ 168.11449 138.2
[M]- 168.11559 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