CID 2574

57022-38-5

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

C1=C(NC=N1)CCNC(=O)CCN

InChI

InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)

InChIKey

ANRUJJLGVODXIK-UHFFFAOYSA-N

Compound name

3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 58
References: 996
Patents: 182.11676 Da
Monoisotopic Mass: -1.5
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]+	183.12404	140.6
[M+Na]+	205.10598	147.9
[M+NH4]+	200.15058	146.3
[M+K]+	221.07992	145.6
[M-H]-	181.10948	140.0
[M+Na-2H]-	203.09143	144.1
[M]+	182.11621	140.8
[M]-	182.11731	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe