CID 14211

Guancydine

Structural Information

Molecular Formula

C₇H₁₄N₄

SMILES

CCC(C)(C)N=C(N)NC#N

InChI

InChI=1S/C7H14N4/c1-4-7(2,3)11-6(9)10-5-8/h4H2,1-3H3,(H3,9,10,11)

InChIKey

VZVGEDRCVUKSEL-UHFFFAOYSA-N

Compound name

1-cyano-2-(2-methylbutan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 447
Patents: 154.12184 Da
Monoisotopic Mass: 0.6
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]+	155.129116	139.5
[M+Na]+	177.111058	146.1
[M-H]-	153.114564	140.8
[M+NH4]+	172.155663	157.9
[M+K]+	193.084998	146.8
[M+H-H2O]+	137.119100	127.3
[M+HCOO]-	199.120041	160.4
[M+CH3COO]-	213.135691	198.7
[M+Na-2H]-	175.096506	144.5
[M]+	154.12129142	132.5
[M]-	154.12238858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe