CID 2769503

1-(3-isocyanopropyl)-1h-imidazole

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

[C-]#[N+]CCCN1C=CN=C1

InChI

InChI=1S/C7H9N3/c1-8-3-2-5-10-6-4-9-7-10/h4,6-7H,2-3,5H2

InChIKey

VCYGDSFPHCFBSY-UHFFFAOYSA-N

Compound name

1-(3-isocyanopropyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 135.07965 Da
Monoisotopic Mass: 0.0
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]+	136.08693	128.6
[M+Na]+	158.06887	141.1
[M+NH4]+	153.11347	133.7
[M+K]+	174.04281	134.7
[M-H]-	134.07237	123.0
[M+Na-2H]-	156.05432	132.2
[M]+	135.07910	127.8
[M]-	135.08020	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe