CID 2896

Cyclocreatine

Structural Information

Molecular Formula

C₅H₉N₃O₂

SMILES

C1CN(C(=N1)N)CC(=O)O

InChI

InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)

InChIKey

AMHZIUVRYRVYBA-UHFFFAOYSA-N

Compound name

2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 68
References: 1300
Patents: 143.06947 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.07675	128.6
[M+Na]+	166.05869	136.8
[M+NH4]+	161.10329	134.7
[M+K]+	182.03263	135.6
[M-H]-	142.06219	127.2
[M+Na-2H]-	164.04414	131.5
[M]+	143.06892	128.7
[M]-	143.07002	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe