CID 3042798

Guanidine, 2-cyano-1-propyl-3-(3-pyridyl)-

Structural Information

Molecular Formula

C₁₀H₁₃N₅

SMILES

CCCN=C(NC#N)NC1=CN=CC=C1

InChI

InChI=1S/C10H13N5/c1-2-5-13-10(14-8-11)15-9-4-3-6-12-7-9/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)

InChIKey

BOSGAOAGCGYYOH-UHFFFAOYSA-N

Compound name

1-cyano-2-propyl-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 203.1171 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]+	204.12438	153.2
[M+Na]+	226.10632	162.3
[M+NH4]+	221.15092	156.8
[M+K]+	242.08026	152.9
[M-H]-	202.10982	148.5
[M+Na-2H]-	224.09177	156.8
[M]+	203.11655	152.0
[M]-	203.11765	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe