CID 7016057

H-ser-asp-oh

Structural Information

Molecular Formula
C7H12N2O6
SMILES
C([C@@H](C(=O)O)NC(=O)[C@H](CO)N)C(=O)O
InChI
InChI=1S/C7H12N2O6/c8-3(2-10)6(13)9-4(7(14)15)1-5(11)12/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)/t3-,4-/m0/s1
InChIKey
VBKBDLMWICBSCY-IMJSIDKUSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4758
Patents

220.06953 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07681 147.3
[M+Na]+ 243.05875 149.6
[M+NH4]+ 238.10335 149.1
[M+K]+ 259.03269 151.5
[M-H]- 219.06225 141.3
[M+Na-2H]- 241.04420 144.1
[M]+ 220.06898 144.7
[M]- 220.07008 144.7
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