CID 61156985

Hydroxyprolyl-alanine

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CC(C(=O)O)NC(=O)C1CC(CN1)O
InChI
InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKey
PHMGRHJWVYZMPA-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.09535 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.2
[M+Na]+ 225.08457 149.1
[M-H]- 201.08807 143.0
[M+NH4]+ 220.12917 161.8
[M+K]+ 241.05851 147.8
[M+H-H2O]+ 185.09261 139.2
[M+HCOO]- 247.09355 161.3
[M+CH3COO]- 261.10920 179.1
[M+Na-2H]- 223.07002 144.2
[M]+ 202.09480 139.3
[M]- 202.09590 139.3
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

patents stripe