CID 367951

Nsc638155

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O
InChI
InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)6-9(10(12)13)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
DTESVSJGQRBZEK-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

206.0579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.6
[M+Na]+ 229.04712 149.2
[M-H]- 205.05062 143.7
[M+NH4]+ 224.09172 159.9
[M+K]+ 245.02106 146.9
[M+H-H2O]+ 189.05516 137.2
[M+HCOO]- 251.05610 162.0
[M+CH3COO]- 265.07175 181.0
[M+Na-2H]- 227.03257 144.4
[M]+ 206.05735 141.6
[M]- 206.05845 141.6
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