CID 13708642

Benzoyl meso-tartaric acid

Structural Information

Molecular Formula
C11H10O7
SMILES
C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16)
InChIKey
JXXURQWKKCNUBH-UHFFFAOYSA-N
Compound name
2-benzoyloxy-3-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

254.04265 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04993 151.2
[M+Na]+ 277.03187 155.4
[M-H]- 253.03537 150.4
[M+NH4]+ 272.07647 164.9
[M+K]+ 293.00581 155.3
[M+H-H2O]+ 237.03991 145.1
[M+HCOO]- 299.04085 167.7
[M+CH3COO]- 313.05650 186.1
[M+Na-2H]- 275.01732 151.0
[M]+ 254.04210 150.9
[M]- 254.04320 150.9
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