CID 7023503

6403-16-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3635
Patents

234.08519 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09247 150.9
[M+Na]+ 257.07441 153.6
[M-H]- 233.07791 146.1
[M+NH4]+ 252.11901 164.8
[M+K]+ 273.04835 153.9
[M+H-H2O]+ 217.08245 144.8
[M+HCOO]- 279.08339 167.8
[M+CH3COO]- 293.09904 189.6
[M+Na-2H]- 255.05986 148.5
[M]+ 234.08464 147.6
[M]- 234.08574 147.6
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