CID 165663387

1-[3-(methoxycarbonyl)phenyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H12O4
SMILES
COC(=O)C1=CC(=CC=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C12H12O4/c1-16-10(13)8-3-2-4-9(7-8)12(5-6-12)11(14)15/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKey
XTCGDMPNMPGPOT-UHFFFAOYSA-N
Compound name
1-(3-methoxycarbonylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 151.3
[M+Na]+ 243.06278 163.9
[M+NH4]+ 238.10738 160.2
[M+K]+ 259.03672 158.9
[M-H]- 219.06628 159.7
[M+Na-2H]- 241.04823 160.8
[M]+ 220.07301 156.6
[M]- 220.07411 156.6
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

No patent data available for this compound.