CID 25243507

2-(4-hydroxybenzyl)-malate

Structural Information

Molecular Formula
C11H12O6
SMILES
C1=CC(=CC=C1C[C@](CC(=O)O)(C(=O)O)O)O
InChI
InChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16)/t11-/m0/s1
InChIKey
XLGKDRSWPCQYAB-NSHDSACASA-N
Compound name
(2S)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

240.06339 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07067 150.6
[M+Na]+ 263.05261 158.4
[M+NH4]+ 258.09721 154.5
[M+K]+ 279.02655 157.4
[M-H]- 239.05611 147.1
[M+Na-2H]- 261.03806 152.4
[M]+ 240.06284 150.2
[M]- 240.06394 150.2
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

No patent data available for this compound.