CID 12719794

113111-32-3

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 150.4
[M+Na]+ 243.06278 162.9
[M+NH4]+ 238.10738 159.0
[M+K]+ 259.03672 158.4
[M-H]- 219.06628 158.5
[M+Na-2H]- 241.04823 159.2
[M]+ 220.07301 155.6
[M]- 220.07411 155.6
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

patents stripe