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]+ 130.04335 121.7
[M+Na]+ 152.02529 134.1
[M-H]- 128.02879 122.7
[M+NH4]+ 147.06989 143.0
[M+K]+ 167.99923 132.1
[M+H-H2O]+ 112.03333 115.5
[M+HCOO]- 174.03427 139.7
[M+CH3COO]- 188.04992 170.0
[M+Na-2H]- 150.01074 124.6
[M]+ 129.03552 124.4
[M]- 129.03662 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