CID 19994053

2-methyl-2h-1,2,3,4-tetrazole-5-thiol

Structural Information

Molecular Formula
C2H4N4S
SMILES
CN1NC(=S)N=N1
InChI
InChI=1S/C2H4N4S/c1-6-4-2(7)3-5-6/h1H3,(H,4,7)
InChIKey
RLRIYDBAFPKSRC-UHFFFAOYSA-N
Compound name
2-methyl-1H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

116.01567 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.022946 118.6
[M+Na]+ 139.004888 130.7
[M-H]- 115.008394 116.8
[M+NH4]+ 134.049493 138.1
[M+K]+ 154.978828 128.1
[M+H-H2O]+ 99.012930 112.0
[M+HCOO]- 161.013871 134.5
[M+CH3COO]- 175.029521 132.5
[M+Na-2H]- 136.990336 122.5
[M]+ 116.01512142 118.8
[M]- 116.01621858 118.8
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