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]+ 221.08084 145.9
[M+Na]+ 243.06278 155.1
[M-H]- 219.06628 152.6
[M+NH4]+ 238.10738 160.6
[M+K]+ 259.03672 153.2
[M+H-H2O]+ 203.07082 140.7
[M+HCOO]- 265.07176 167.4
[M+CH3COO]- 279.08741 187.6
[M+Na-2H]- 241.04823 150.7
[M]+ 220.07301 150.2
[M]- 220.07411 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.