CID 18218236

Prolylserine

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C1CC(NC1)C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)
InChIKey
AFWBWPCXSWUCLB-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5
Patents

202.09535 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.5
[M+Na]+ 225.08457 148.4
[M-H]- 201.08807 142.8
[M+NH4]+ 220.12917 161.7
[M+K]+ 241.05851 147.1
[M+H-H2O]+ 185.09261 139.1
[M+HCOO]- 247.09355 161.5
[M+CH3COO]- 261.10920 177.8
[M+Na-2H]- 223.07002 145.2
[M]+ 202.09480 139.1
[M]- 202.09590 139.1
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