CID 44559

63580-26-7

Structural Information

Molecular Formula
C10H16N2S4
SMILES
CN(C)C(=S)SCC#CCSC(=S)N(C)C
InChI
InChI=1S/C10H16N2S4/c1-11(2)9(13)15-7-5-6-8-16-10(14)12(3)4/h7-8H2,1-4H3
InChIKey
ZZKMEFLNROQYQS-UHFFFAOYSA-N
Compound name
4-(dimethylcarbamothioylsulfanyl)but-2-ynyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01962 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.026896 174.3
[M+Na]+ 315.008838 180.2
[M-H]- 291.012344 175.4
[M+NH4]+ 310.053443 188.3
[M+K]+ 330.982778 175.5
[M+H-H2O]+ 275.016880 161.6
[M+HCOO]- 337.017821 169.3
[M+CH3COO]- 351.033471 214.2
[M+Na-2H]- 312.994286 170.0
[M]+ 292.01907142 169.2
[M]- 292.02016858 169.2
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

No patent data available for this compound.