CID 8902202

1-(2-methylpropyl)-2,5-dihydro-1h-1,2,3,4-tetrazole-5-thione

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

5
Patents

158.06262 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06990 131.8
[M+Na]+ 181.05184 142.2
[M-H]- 157.05534 129.6
[M+NH4]+ 176.09644 149.5
[M+K]+ 197.02578 139.3
[M+H-H2O]+ 141.05988 124.7
[M+HCOO]- 203.06082 145.7
[M+CH3COO]- 217.07647 173.1
[M+Na-2H]- 179.03729 133.2
[M]+ 158.06207 132.5
[M]- 158.06317 132.5
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