CID 165663387

1314766-17-0

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]+ 221.080836 145.9
[M+Na]+ 243.062778 155.1
[M-H]- 219.066284 152.6
[M+NH4]+ 238.107383 160.6
[M+K]+ 259.036718 153.2
[M+H-H2O]+ 203.070820 140.7
[M+HCOO]- 265.071761 167.4
[M+CH3COO]- 279.087411 187.6
[M+Na-2H]- 241.048226 150.7
[M]+ 220.07301142 150.2
[M]- 220.07410858 150.2
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.