CID 165120

Salicylglutamic acid

Structural Information

Molecular Formula
C12H13NO6
SMILES
C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)O
InChI
InChI=1S/C12H13NO6/c14-9-4-2-1-3-7(9)11(17)13-8(12(18)19)5-6-10(15)16/h1-4,8,14H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t8-/m0/s1
InChIKey
SLCAFYIDOSJSMB-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-hydroxybenzoyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

267.07428 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08156 158.3
[M+Na]+ 290.06350 164.9
[M+NH4]+ 285.10810 161.5
[M+K]+ 306.03744 164.0
[M-H]- 266.06700 155.5
[M+Na-2H]- 288.04895 159.3
[M]+ 267.07373 157.6
[M]- 267.07483 157.6
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