CID 3038187

1,2-dihydro-2-methyl-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C3H5N3S
SMILES
CN1C(=S)N=CN1
InChI
InChI=1S/C3H5N3S/c1-6-3(7)4-2-5-6/h2H,1H3,(H,4,5,7)
InChIKey
PSCNKLHSBAUYBP-UHFFFAOYSA-N
Compound name
2-methyl-1H-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

115.02042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 118.4
[M+Na]+ 138.00964 129.9
[M-H]- 114.01314 117.8
[M+NH4]+ 133.05424 139.2
[M+K]+ 153.98358 127.2
[M+H-H2O]+ 98.017680 112.3
[M+HCOO]- 160.01862 135.3
[M+CH3COO]- 174.03427 163.2
[M+Na-2H]- 135.99509 122.0
[M]+ 115.01987 118.5
[M]- 115.02097 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe