CID 27760

Triazbutil

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CCCCN1C=NN=C1

InChI

InChI=1S/C6H11N3/c1-2-3-4-9-5-7-8-6-9/h5-6H,2-4H2,1H3

InChIKey

ZOMKCDYJHAQMCU-UHFFFAOYSA-N

Compound name

4-butyl-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 10076
Patents: 125.0953 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]+	126.10258	125.2
[M+Na]+	148.08452	133.9
[M-H]-	124.08802	124.6
[M+NH4]+	143.12912	145.3
[M+K]+	164.05846	133.0
[M+H-H2O]+	108.09256	117.4
[M+HCOO]-	170.09350	147.5
[M+CH3COO]-	184.10915	170.8
[M+Na-2H]-	146.06997	132.5
[M]+	125.09475	126.3
[M]-	125.09585	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe