CID 7016057

Ser-asp

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 146.4
[M+Na]+ 243.05875 149.5
[M-H]- 219.06225 141.8
[M+NH4]+ 238.10335 160.8
[M+K]+ 259.03269 150.0
[M+H-H2O]+ 203.06679 140.5
[M+HCOO]- 265.06773 163.7
[M+CH3COO]- 279.08338 186.6
[M+Na-2H]- 241.04420 144.5
[M]+ 220.06898 142.8
[M]- 220.07008 142.8
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