CID 21298950

1-(5-aminopentyl)guanidine

Structural Information

Molecular Formula

C₆H₁₆N₄

SMILES

C(CCN)CCN=C(N)N

InChI

InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)

InChIKey

XJHFHPPZQVRVHD-UHFFFAOYSA-N

Compound name

2-(5-aminopentyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 144.1375 Da
Monoisotopic Mass: -1.2
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]+	145.14478	132.6
[M+Na]+	167.12672	136.9
[M-H]-	143.13022	132.6
[M+NH4]+	162.17132	152.6
[M+K]+	183.10066	136.4
[M+H-H2O]+	127.13476	126.0
[M+HCOO]-	189.13570	159.1
[M+CH3COO]-	203.15135	187.0
[M+Na-2H]-	165.11217	136.5
[M]+	144.13695	128.0
[M]-	144.13805	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe