CID 75277391

N-[(2s)-2-amino-2-carboxyethyl]-l-glutamate

Structural Information

Molecular Formula
C8H14N2O6
SMILES
C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1
InChIKey
XYQHCOGLGSNTNV-WHFBIAKZSA-N
Compound name
(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

234.08519 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09247 150.6
[M+Na]+ 257.07441 153.2
[M-H]- 233.07791 145.8
[M+NH4]+ 252.11901 164.4
[M+K]+ 273.04835 153.5
[M+H-H2O]+ 217.08245 144.5
[M+HCOO]- 279.08339 167.5
[M+CH3COO]- 293.09904 190.2
[M+Na-2H]- 255.05986 148.3
[M]+ 234.08464 147.4
[M]- 234.08574 147.4
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