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
1
Annotation Hits

0
References

34
Patents

220.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 143.8
[M+Na]+ 243.06278 153.3
[M-H]- 219.06628 149.5
[M+NH4]+ 238.10738 158.0
[M+K]+ 259.03672 150.5
[M+H-H2O]+ 203.07082 139.2
[M+HCOO]- 265.07176 163.8
[M+CH3COO]- 279.08741 187.1
[M+Na-2H]- 241.04823 147.7
[M]+ 220.07301 146.8
[M]- 220.07411 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