CID 100029

67026-40-8

Structural Information

Molecular Formula

C₁₂H₁₅N₅O

SMILES

C1CC(OC1)CN=C(NC#N)NC2=CN=CC=C2

InChI

InChI=1S/C12H15N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1,3,5,7,11H,2,4,6,8H2,(H2,15,16,17)

InChIKey

IRAFXUUCZUZRLB-UHFFFAOYSA-N

Compound name

1-cyano-2-(oxolan-2-ylmethyl)-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 245.12766 Da
Monoisotopic Mass: 1.0
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]+	246.134936	156.2
[M+Na]+	268.116878	161.7
[M-H]-	244.120384	160.6
[M+NH4]+	263.161483	169.6
[M+K]+	284.090818	159.3
[M+H-H2O]+	228.124920	139.9
[M+HCOO]-	290.125861	176.5
[M+CH3COO]-	304.141511	208.6
[M+Na-2H]-	266.102326	161.3
[M]+	245.12711142	147.9
[M]-	245.12820858	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.