CID 2729625

7624-35-3

Structural Information

Molecular Formula

C₅H₁₀N₄S

SMILES

CC(C)(C)N1C(=S)N=NN1

InChI

InChI=1S/C5H10N4S/c1-5(2,3)9-4(10)6-7-8-9/h1-3H3,(H,6,8,10)

InChIKey

TYVQFMFAGGWJLV-UHFFFAOYSA-N

Compound name

1-tert-butyl-2H-tetrazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 130
Patents: 158.06262 Da
Monoisotopic Mass: 2.2
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	135.4
[M+Na]+	181.05184	146.1
[M+NH4]+	176.09644	142.0
[M+K]+	197.02578	141.6
[M-H]-	157.05534	133.4
[M+Na-2H]-	179.03729	139.0
[M]+	158.06207	136.6
[M]-	158.06317	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe