CID 3034248

5h-tetrazole-5-thione, 1-ethyl-1,2-dihydro-

Structural Information

Molecular Formula
C3H6N4S
SMILES
CCN1C(=S)N=NN1
InChI
InChI=1S/C3H6N4S/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)
InChIKey
JLQLTELAOKOFBV-UHFFFAOYSA-N
Compound name
1-ethyl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1078
Patents

130.03131 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03859 122.9
[M+Na]+ 153.02053 134.6
[M-H]- 129.02403 120.9
[M+NH4]+ 148.06513 141.8
[M+K]+ 168.99447 131.6
[M+H-H2O]+ 113.02857 116.1
[M+HCOO]- 175.02951 138.5
[M+CH3COO]- 189.04516 166.3
[M+Na-2H]- 151.00598 126.3
[M]+ 130.03076 123.5
[M]- 130.03186 123.5
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