CID 76895453

Hydroxyprolyl-histidine

Structural Information

Molecular Formula
C11H16N4O4
SMILES
C1C(CNC1C(=O)NC(CC2=CN=CN2)C(=O)O)O
InChI
InChI=1S/C11H16N4O4/c16-7-2-8(13-4-7)10(17)15-9(11(18)19)1-6-3-12-5-14-6/h3,5,7-9,13,16H,1-2,4H2,(H,12,14)(H,15,17)(H,18,19)
InChIKey
JZJSKYCAKGGJBO-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.11716 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 160.0
[M+Na]+ 291.10638 162.9
[M-H]- 267.10988 157.6
[M+NH4]+ 286.15098 171.9
[M+K]+ 307.08032 160.1
[M+H-H2O]+ 251.11442 151.8
[M+HCOO]- 313.11536 173.4
[M+CH3COO]- 327.13101 187.8
[M+Na-2H]- 289.09183 157.5
[M]+ 268.11661 152.9
[M]- 268.11771 152.9
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