CID 3050751

67026-34-0

Structural Information

Molecular Formula

C₁₀H₁₃N₅

SMILES

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

InChI

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

InChIKey

CLHNOAUGSNXENE-UHFFFAOYSA-N

Compound name

1-cyano-2-propan-2-yl-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 203.1171 Da
Monoisotopic Mass: 1.3
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	162.1
[M+NH4]+	221.15092	156.7
[M+K]+	242.08026	153.3
[M-H]-	202.10982	148.4
[M+Na-2H]-	224.09177	156.5
[M]+	203.11655	151.9
[M]-	203.11765	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe