CID 7009579

H-ser-ala-oh

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
SSJMZMUVNKEENT-IMJSIDKUSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6290
Patents

176.07971 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 138.5
[M+Na]+ 199.06893 142.8
[M+NH4]+ 194.11353 142.4
[M+K]+ 215.04287 142.7
[M-H]- 175.07243 134.7
[M+Na-2H]- 197.05438 137.5
[M]+ 176.07916 137.1
[M]- 176.08026 137.1
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