CID 351600

N''-cyano-n-ethylguanidine

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CCN=C(N)NC#N

InChI

InChI=1S/C4H8N4/c1-2-7-4(6)8-3-5/h2H2,1H3,(H3,6,7,8)

InChIKey

IKKZUUMAGYBBFE-UHFFFAOYSA-N

Compound name

1-cyano-2-ethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 112.0749 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]+	113.082176	124.3
[M+Na]+	135.064118	131.7
[M-H]-	111.067624	125.8
[M+NH4]+	130.108723	144.1
[M+K]+	151.038058	132.6
[M+H-H2O]+	95.072160	112.0
[M+HCOO]-	157.073101	147.5
[M+CH3COO]-	171.088751	190.3
[M+Na-2H]-	133.049566	130.5
[M]+	112.07435142	116.8
[M]-	112.07544858	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe