CID 10081459

N-prenylagmatine

Structural Information

Molecular Formula

C₁₀H₂₂N₄

SMILES

CC(=CCN=C(N)NCCCCN)C

InChI

InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)

InChIKey

VACJHYSOFQSYAC-UHFFFAOYSA-N

Compound name

1-(4-aminobutyl)-2-(3-methylbut-2-enyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 13
Patents: 198.18445 Da
Monoisotopic Mass: 0.5
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]+	199.19173	150.8
[M+Na]+	221.17367	155.7
[M+NH4]+	216.21827	156.6
[M+K]+	237.14761	151.1
[M-H]-	197.17717	151.4
[M+Na-2H]-	219.15912	152.2
[M]+	198.18390	150.9
[M]-	198.18500	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe