CID 417360

Glycyl-histidine

Structural Information

Molecular Formula
C8H12N4O3
SMILES
C1=C(NC=N1)CC(C(=O)O)NC(=O)CN
InChI
InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChIKey
YIWFXZNIBQBFHR-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

2961
Patents

212.09094 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 146.3
[M+Na]+ 235.08016 151.4
[M+NH4]+ 230.12476 149.9
[M+K]+ 251.05410 152.1
[M-H]- 211.08366 143.5
[M+Na-2H]- 233.06561 147.4
[M]+ 212.09039 145.2
[M]- 212.09149 145.2
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