CID 146166762

2839156-52-2

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

C1=C(NC=N1)CC2N=N2

InChI

InChI=1S/C5H6N4/c1(5-8-9-5)4-2-6-3-7-4/h2-3,5H,1H2,(H,6,7)

InChIKey

QOAXQDMSLATPAN-UHFFFAOYSA-N

Compound name

5-(3H-diazirin-3-ylmethyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 122.05925 Da
Monoisotopic Mass: 0.3
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]+	123.06653	127.7
[M+Na]+	145.04847	141.3
[M+NH4]+	140.09307	135.5
[M+K]+	161.02241	138.8
[M-H]-	121.05197	134.6
[M+Na-2H]-	143.03392	137.3
[M]+	122.05870	132.4
[M]-	122.05980	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe