CID 4369021

Ser-pro

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CO)N)C(=O)O
InChI
InChI=1S/C8H14N2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11H,1-4,9H2,(H,13,14)/t5-,6-/m0/s1
InChIKey
WBAXJMCUFIXCNI-WDSKDSINSA-N
Compound name
(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

6194
Patents

202.09535 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.0
[M+Na]+ 225.08457 149.7
[M+NH4]+ 220.12917 149.3
[M+K]+ 241.05851 150.7
[M-H]- 201.08807 141.9
[M+Na-2H]- 223.07002 144.3
[M]+ 202.09480 143.9
[M]- 202.09590 143.9
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