CID 2063529

3h-1,2,4-triazole-3-thione, 2,4-dihydro-4,5-dimethyl-

Structural Information

Molecular Formula
C4H7N3S
SMILES
CC1=NNC(=S)N1C
InChI
InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)
InChIKey
OTVCBBXLGYYSNC-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

350
Patents

129.03607 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.6
[M+Na]+ 152.025288 134.6
[M-H]- 128.028794 122.3
[M+NH4]+ 147.069893 143.2
[M+K]+ 167.999228 131.5
[M+H-H2O]+ 112.033330 116.7
[M+HCOO]- 174.034271 139.1
[M+CH3COO]- 188.049921 167.3
[M+Na-2H]- 150.010736 125.0
[M]+ 129.03552142 123.4
[M]- 129.03661858 123.4
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