CID 48873

Brn 0418334

Structural Information

Molecular Formula

C₁₃H₁₇N₅

SMILES

C1CCC(CC1)N=C(NC#N)NC2=CC=NC=C2

InChI

InChI=1S/C13H17N5/c14-10-16-13(17-11-4-2-1-3-5-11)18-12-6-8-15-9-7-12/h6-9,11H,1-5H2,(H2,15,16,17,18)

InChIKey

DGOVGODHTGREPB-UHFFFAOYSA-N

Compound name

1-cyano-2-cyclohexyl-3-pyridin-4-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 243.14839 Da
Monoisotopic Mass: 2.4
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]+	244.15567	166.7
[M+Na]+	266.13761	175.5
[M+NH4]+	261.18221	170.7
[M+K]+	282.11155	165.3
[M-H]-	242.14111	163.9
[M+Na-2H]-	264.12306	170.7
[M]+	243.14784	165.9
[M]-	243.14894	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.