CID 8902202

1-isobutyl-1h-tetrazole-5-thiol

Structural Information

Molecular Formula

C₅H₁₀N₄S

SMILES

CC(C)CN1C(=S)N=NN1

InChI

InChI=1S/C5H10N4S/c1-4(2)3-9-5(10)6-7-8-9/h4H,3H2,1-2H3,(H,6,8,10)

InChIKey

QRBOTQCENRLUTD-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)-2H-tetrazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 158.06262 Da
Monoisotopic Mass: 2.6
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]+	159.06990	133.8
[M+Na]+	181.05184	144.5
[M+NH4]+	176.09644	140.5
[M+K]+	197.02578	139.7
[M-H]-	157.05534	132.3
[M+Na-2H]-	179.03729	137.2
[M]+	158.06207	135.0
[M]-	158.06317	135.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.