CID 210906

21885-29-0

Structural Information

Molecular Formula
C4H7N3S
SMILES
CN1C=NN(C1=S)C
InChI
InChI=1S/C4H7N3S/c1-6-3-5-7(2)4(6)8/h3H,1-2H3
InChIKey
IOVAEPYUPBLCKS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

129.03607 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 121.7
[M+Na]+ 152.025288 134.1
[M-H]- 128.028794 122.7
[M+NH4]+ 147.069893 143.0
[M+K]+ 167.999228 132.1
[M+H-H2O]+ 112.033330 115.5
[M+HCOO]- 174.034271 139.7
[M+CH3COO]- 188.049921 170.0
[M+Na-2H]- 150.010736 124.6
[M]+ 129.03552142 124.4
[M]- 129.03661858 124.4
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