CID 13761774

4-(methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C12CCC(C1)(CC2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-14-8(13)10-4-2-9(6-10,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12)
InChIKey
KVIKABYOBCHKNX-UHFFFAOYSA-N
Compound name
4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

198.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 146.1
[M+Na]+ 221.078418 153.0
[M-H]- 197.081924 147.6
[M+NH4]+ 216.123023 173.2
[M+K]+ 237.052358 151.7
[M+H-H2O]+ 181.086460 143.6
[M+HCOO]- 243.087401 164.5
[M+CH3COO]- 257.103051 178.7
[M+Na-2H]- 219.063866 149.9
[M]+ 198.08865142 146.1
[M]- 198.08974858 146.1
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