CID 242320

3-(methoxycarbonyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)C1CCC(C1)C(=O)O
InChI
InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
FVUHGTQDOMGZOT-UHFFFAOYSA-N
Compound name
3-methoxycarbonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 136.1
[M+Na]+ 195.062778 142.2
[M-H]- 171.066284 138.1
[M+NH4]+ 190.107383 157.3
[M+K]+ 211.036718 142.1
[M+H-H2O]+ 155.070820 131.4
[M+HCOO]- 217.071761 156.5
[M+CH3COO]- 231.087411 175.1
[M+Na-2H]- 193.048226 137.1
[M]+ 172.07301142 135.0
[M]- 172.07410858 135.0
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