CID 37417

(3-phenylpropyl)aminoguanidine

Structural Information

Molecular Formula

C₁₀H₁₆N₄

SMILES

C1=CC=C(C=C1)CCCNN=C(N)N

InChI

InChI=1S/C10H16N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H4,11,12,14)

InChIKey

QUWILARGNKEHLL-UHFFFAOYSA-N

Compound name

2-(3-phenylpropylamino)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7
Patents: 192.1375 Da
Monoisotopic Mass: 1.5
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]+	193.14478	142.1
[M+Na]+	215.12672	146.1
[M-H]-	191.13022	145.6
[M+NH4]+	210.17132	160.2
[M+K]+	231.10066	144.0
[M+H-H2O]+	175.13476	134.4
[M+HCOO]-	237.13570	169.8
[M+CH3COO]-	251.15135	195.0
[M+Na-2H]-	213.11217	148.2
[M]+	192.13695	137.8
[M]-	192.13805	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe