CID 525

Malic acid

Structural Information

Molecular Formula
C4H6O5
SMILES
C(C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
InChIKey
BJEPYKJPYRNKOW-UHFFFAOYSA-N
Compound name
2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

6405
References

152798
Patents

134.02153 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 123.6
[M+Na]+ 157.01075 130.1
[M-H]- 133.01425 120.1
[M+NH4]+ 152.05535 142.9
[M+K]+ 172.98469 130.2
[M+H-H2O]+ 117.01879 119.6
[M+HCOO]- 179.01973 142.1
[M+CH3COO]- 193.03538 164.4
[M+Na-2H]- 154.99620 126.4
[M]+ 134.02098 122.3
[M]- 134.02208 122.3
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

No patent data available for this compound.