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

272
Patents

198.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 146.1
[M+Na]+ 221.07842 153.0
[M-H]- 197.08192 147.6
[M+NH4]+ 216.12302 173.2
[M+K]+ 237.05236 151.7
[M+H-H2O]+ 181.08646 143.6
[M+HCOO]- 243.08740 164.5
[M+CH3COO]- 257.10305 178.7
[M+Na-2H]- 219.06387 149.9
[M]+ 198.08865 146.1
[M]- 198.08975 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