CID 196473

N-(4-aminobenzoyl)-l-glutamic acid

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
InChIKey
GADGMZDHLQLZRI-VIFPVBQESA-N
Compound name
(2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

90
References

1233
Patents

266.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 159.4
[M+Na]+ 289.07949 165.4
[M+NH4]+ 284.12409 162.8
[M+K]+ 305.05343 164.2
[M-H]- 265.08299 157.6
[M+Na-2H]- 287.06494 160.6
[M]+ 266.08972 158.9
[M]- 266.09082 158.9
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