CID 48876

67026-60-2

Structural Information

Molecular Formula

C₁₃H₁₇N₅

SMILES

C1CCC(CC1)N=C(NC#N)NC2=CC=CC=N2

InChI

InChI=1S/C13H17N5/c14-10-16-13(17-11-6-2-1-3-7-11)18-12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17,18)

InChIKey

MMCGITJJLOOFFU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 243.14839 Da
Monoisotopic Mass: 2.7
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	157.5
[M+Na]+	266.13761	161.9
[M-H]-	242.14111	161.1
[M+NH4]+	261.18221	170.5
[M+K]+	282.11155	157.9
[M+H-H2O]+	226.14565	141.6
[M+HCOO]-	288.14659	176.3
[M+CH3COO]-	302.16224	209.8
[M+Na-2H]-	264.12306	162.8
[M]+	243.14784	145.9
[M]-	243.14894	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.