CID 48865

67026-38-4

Structural Information

Molecular Formula

C₁₁H₁₅N₅O

SMILES

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

InChI

InChI=1S/C11H15N5O/c1-2-17-7-6-14-11(15-9-12)16-10-4-3-5-13-8-10/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)

InChIKey

VEDZWQOIUMRKAJ-UHFFFAOYSA-N

Compound name

1-cyano-2-(2-ethoxyethyl)-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 233.12766 Da
Monoisotopic Mass: 0.8
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]+	234.13494	153.0
[M+Na]+	256.11688	159.0
[M-H]-	232.12038	154.9
[M+NH4]+	251.16148	167.0
[M+K]+	272.09082	157.5
[M+H-H2O]+	216.12492	137.6
[M+HCOO]-	278.12586	175.1
[M+CH3COO]-	292.14151	209.2
[M+Na-2H]-	254.10233	159.5
[M]+	233.12711	148.0
[M]-	233.12821	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.