CID 12719794

1,2-cyclopropanedicarboxylic acid, 1-(4-methylphenyl)-

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1=CC=C(C=C1)C2(CC2C(=O)O)C(=O)O
InChI
InChI=1S/C12H12O4/c1-7-2-4-8(5-3-7)12(11(15)16)6-9(12)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKey
RIDXNPOAOROPNF-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

220.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 143.8
[M+Na]+ 243.062778 153.3
[M-H]- 219.066284 149.5
[M+NH4]+ 238.107383 158.0
[M+K]+ 259.036718 150.5
[M+H-H2O]+ 203.070820 139.2
[M+HCOO]- 265.071761 163.8
[M+CH3COO]- 279.087411 187.1
[M+Na-2H]- 241.048226 147.7
[M]+ 220.07301142 146.8
[M]- 220.07410858 146.8
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