CID 124126541

1883264-36-5

Structural Information

Molecular Formula
C11H15N3S2
SMILES
CCC(C)(C#N)SC(=S)N1C(=CC(=N1)C)C
InChI
InChI=1S/C11H15N3S2/c1-5-11(4,7-12)16-10(15)14-9(3)6-8(2)13-14/h6H,5H2,1-4H3
InChIKey
YLQFEMAFHJDHDH-UHFFFAOYSA-N
Compound name
2-cyanobutan-2-yl 3,5-dimethylpyrazole-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

253.07074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07802 163.6
[M+Na]+ 276.05996 174.4
[M-H]- 252.06346 165.5
[M+NH4]+ 271.10456 179.7
[M+K]+ 292.03390 171.4
[M+H-H2O]+ 236.06800 150.7
[M+HCOO]- 298.06894 169.7
[M+CH3COO]- 312.08459 204.4
[M+Na-2H]- 274.04541 160.8
[M]+ 253.07019 162.4
[M]- 253.07129 162.4
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