CID 121552280

1909319-66-9

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

C1CC1C2=NC(=NN2)C#N

InChI

InChI=1S/C6H6N4/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-2H2,(H,8,9,10)

InChIKey

UBZTXIGRPWZEFQ-UHFFFAOYSA-N

Compound name

5-cyclopropyl-1H-1,2,4-triazole-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.05925 Da
Monoisotopic Mass: 0.6
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]+	135.06653	127.0
[M+Na]+	157.04847	143.0
[M-H]-	133.05197	130.0
[M+NH4]+	152.09307	141.0
[M+K]+	173.02241	136.2
[M+H-H2O]+	117.05651	114.6
[M+HCOO]-	179.05745	146.3
[M+CH3COO]-	193.07310	139.9
[M+Na-2H]-	155.03392	134.2
[M]+	134.05870	124.0
[M]-	134.05980	124.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.