CID 5081862

Beta-alanyl-l-serine

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C(CN)C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C6H12N2O4/c7-2-1-5(10)8-4(3-9)6(11)12/h4,9H,1-3,7H2,(H,8,10)(H,11,12)
InChIKey
IEWBBVZHEXCSSS-UHFFFAOYSA-N
Compound name
2-(3-aminopropanoylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07971 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 138.1
[M+Na]+ 199.06893 142.8
[M+NH4]+ 194.11353 142.2
[M+K]+ 215.04287 141.9
[M-H]- 175.07243 134.6
[M+Na-2H]- 197.05438 137.6
[M]+ 176.07916 136.9
[M]- 176.08026 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.