CID 10130637

Hydroxyprolyl-serine

Structural Information

Molecular Formula
C8H14N2O5
SMILES
C1C(CNC1C(=O)NC(CO)C(=O)O)O
InChI
InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)
InChIKey
UVSBYUFDCGZIMR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

218.09027 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09755 147.7
[M+Na]+ 241.07949 150.9
[M-H]- 217.08299 144.0
[M+NH4]+ 236.12409 162.8
[M+K]+ 257.05343 149.4
[M+H-H2O]+ 201.08753 141.6
[M+HCOO]- 263.08847 162.4
[M+CH3COO]- 277.10412 179.2
[M+Na-2H]- 239.06494 146.4
[M]+ 218.08972 141.3
[M]- 218.09082 141.3
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

No patent data available for this compound.