CID 43353

60560-31-8

Structural Information

Molecular Formula

C₁₂H₁₇N₅

SMILES

CCC(C)(C)N=C(NC#N)NC1=CC=NC=C1

InChI

InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-5-7-14-8-6-10/h5-8H,4H2,1-3H3,(H2,14,15,16,17)

InChIKey

YCIUNWKLRAIFJN-UHFFFAOYSA-N

Compound name

1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-4-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 231.14839 Da
Monoisotopic Mass: 2.1
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]+	232.15567	161.1
[M+Na]+	254.13761	169.6
[M+NH4]+	249.18221	164.3
[M+K]+	270.11155	160.9
[M-H]-	230.14111	155.9
[M+Na-2H]-	252.12306	164.2
[M]+	231.14784	159.7
[M]-	231.14894	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe