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

276
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 136.1
[M+Na]+ 195.06278 142.2
[M-H]- 171.06628 138.1
[M+NH4]+ 190.10738 157.3
[M+K]+ 211.03672 142.1
[M+H-H2O]+ 155.07082 131.4
[M+HCOO]- 217.07176 156.5
[M+CH3COO]- 231.08741 175.1
[M+Na-2H]- 193.04823 137.1
[M]+ 172.07301 135.0
[M]- 172.07411 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