CID 196509

N6-methylagmatine

Structural Information

Molecular Formula

C₆H₁₆N₄

SMILES

CN=C(N)NCCCCN

InChI

InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10)

InChIKey

CEZLGLLDSAKBNX-UHFFFAOYSA-N

Compound name

1-(4-aminobutyl)-2-methylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 19
Patents: 144.1375 Da
Monoisotopic Mass: -1.1
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	132.9
[M+Na]+	167.12672	137.3
[M-H]-	143.13022	133.5
[M+NH4]+	162.17132	153.3
[M+K]+	183.10066	137.1
[M+H-H2O]+	127.13476	126.4
[M+HCOO]-	189.13570	160.1
[M+CH3COO]-	203.15135	186.9
[M+Na-2H]-	165.11217	137.9
[M]+	144.13695	129.2
[M]-	144.13805	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe