CID 218734

Guanidine, 1-butyl-3-cyano-

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CCCCN=C(N)NC#N

InChI

InChI=1S/C6H12N4/c1-2-3-4-9-6(8)10-5-7/h2-4H2,1H3,(H3,8,9,10)

InChIKey

MHDCDPXQCUJWCH-UHFFFAOYSA-N

Compound name

2-butyl-1-cyanoguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 140.1062 Da
Monoisotopic Mass: 0.4
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]+	141.11348	132.0
[M+Na]+	163.09542	138.7
[M-H]-	139.09892	133.2
[M+NH4]+	158.14002	150.8
[M+K]+	179.06936	139.1
[M+H-H2O]+	123.10346	119.4
[M+HCOO]-	185.10440	154.7
[M+CH3COO]-	199.12005	195.8
[M+Na-2H]-	161.08087	137.3
[M]+	140.10565	125.2
[M]-	140.10675	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe