CID 55288238

49552-23-0

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

CC1CN=C(N1)NC#N

InChI

InChI=1S/C5H8N4/c1-4-2-7-5(9-4)8-3-6/h4H,2H2,1H3,(H2,7,8,9)

InChIKey

MWBFNHMAAAQSCT-UHFFFAOYSA-N

Compound name

(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 124.0749 Da
Monoisotopic Mass: -0.5
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]+	125.082176	123.2
[M+Na]+	147.064118	132.2
[M-H]-	123.067624	122.4
[M+NH4]+	142.108723	141.3
[M+K]+	163.038058	130.4
[M+H-H2O]+	107.072160	109.4
[M+HCOO]-	169.073101	141.5
[M+CH3COO]-	183.088751	182.5
[M+Na-2H]-	145.049566	128.9
[M]+	124.07435142	114.7
[M]-	124.07544858	114.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe