CID 3019032

Einecs 279-871-6

Structural Information

Molecular Formula
C6H10N2S
SMILES
CC1=NNC(=S)C1(C)C
InChI
InChI=1S/C6H10N2S/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)
InChIKey
DSTFJEMZCXLLPG-UHFFFAOYSA-N
Compound name
3,4,4-trimethyl-1H-pyrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

142.05647 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.063746 126.0
[M+Na]+ 165.045688 136.7
[M-H]- 141.049194 126.7
[M+NH4]+ 160.090293 149.3
[M+K]+ 181.019628 133.9
[M+H-H2O]+ 125.053730 121.5
[M+HCOO]- 187.054671 141.8
[M+CH3COO]- 201.070321 170.3
[M+Na-2H]- 163.031136 128.4
[M]+ 142.05592142 126.1
[M]- 142.05701858 126.1
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