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
9
Annotation Hits

6385
References

122444
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 124.8
[M+Na]+ 157.01075 131.8
[M+NH4]+ 152.05535 129.6
[M+K]+ 172.98469 131.2
[M-H]- 133.01425 120.1
[M+Na-2H]- 154.99620 124.9
[M]+ 134.02098 123.8
[M]- 134.02208 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe