CID 3019442

Hexylguanidine monohydrochloride

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

CCCCCCN=C(N)N

InChI

InChI=1S/C7H17N3/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3,(H4,8,9,10)

InChIKey

BVLXQZKQUIRWEI-UHFFFAOYSA-N

Compound name

2-hexylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 848
Patents: 143.14224 Da
Monoisotopic Mass: 1.0
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]+	144.149516	134.5
[M+Na]+	166.131458	139.2
[M-H]-	142.134964	134.8
[M+NH4]+	161.176063	155.2
[M+K]+	182.105398	138.7
[M+H-H2O]+	126.139500	128.3
[M+HCOO]-	188.140441	160.3
[M+CH3COO]-	202.156091	185.4
[M+Na-2H]-	164.116906	138.6
[M]+	143.14169142	132.0
[M]-	143.14278858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe