CID 2729625

1-tert-butyl-2,5-dihydro-1h-1,2,3,4-tetrazole-5-thione

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

164
Patents

158.06262 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06990 134.3
[M+Na]+ 181.05184 145.5
[M-H]- 157.05534 132.4
[M+NH4]+ 176.09644 152.3
[M+K]+ 197.02578 142.5
[M+H-H2O]+ 141.05988 127.8
[M+HCOO]- 203.06082 147.7
[M+CH3COO]- 217.07647 171.9
[M+Na-2H]- 179.03729 137.3
[M]+ 158.06207 135.0
[M]- 158.06317 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe