CID 61158096

Hydroxyprolyl-asparagine

Structural Information

Molecular Formula
C9H15N3O5
SMILES
C1C(CNC1C(=O)NC(CC(=O)N)C(=O)O)O
InChI
InChI=1S/C9H15N3O5/c10-7(14)2-6(9(16)17)12-8(15)5-1-4(13)3-11-5/h4-6,11,13H,1-3H2,(H2,10,14)(H,12,15)(H,16,17)
InChIKey
GUZRMGFLLJQHCW-UHFFFAOYSA-N
Compound name
4-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10117 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10845 153.8
[M+Na]+ 268.09039 156.2
[M-H]- 244.09389 151.0
[M+NH4]+ 263.13499 167.7
[M+K]+ 284.06433 155.1
[M+H-H2O]+ 228.09843 147.1
[M+HCOO]- 290.09937 169.3
[M+CH3COO]- 304.11502 189.7
[M+Na-2H]- 266.07584 150.9
[M]+ 245.10062 146.6
[M]- 245.10172 146.6
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.