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 149.8
[M+Na]+ 263.05261 155.4
[M-H]- 239.05611 148.0
[M+NH4]+ 258.09721 164.1
[M+K]+ 279.02655 153.3
[M+H-H2O]+ 223.06065 144.6
[M+HCOO]- 285.06159 165.7
[M+CH3COO]- 299.07724 181.7
[M+Na-2H]- 261.03806 152.9
[M]+ 240.06284 148.8
[M]- 240.06394 148.8
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

No patent data available for this compound.