CID 2468

Buformin

Structural Information

Molecular Formula

C₆H₁₅N₅

SMILES

CCCCN=C(N)N=C(N)N

InChI

InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)

InChIKey

XSEUMFJMFFMCIU-UHFFFAOYSA-N

Compound name

2-butyl-1-(diaminomethylidene)guanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 252
References: 302689
Patents: 157.13275 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]+	158.14003	136.0
[M+Na]+	180.12197	140.1
[M-H]-	156.12547	137.5
[M+NH4]+	175.16657	155.7
[M+K]+	196.09591	140.5
[M+H-H2O]+	140.13001	128.7
[M+HCOO]-	202.13095	164.1
[M+CH3COO]-	216.14660	193.4
[M+Na-2H]-	178.10742	139.3
[M]+	157.13220	130.9
[M]-	157.13330	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe