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]+ 293.02690 174.3
[M+Na]+ 315.00884 180.2
[M-H]- 291.01234 175.4
[M+NH4]+ 310.05344 188.3
[M+K]+ 330.98278 175.5
[M+H-H2O]+ 275.01688 161.6
[M+HCOO]- 337.01782 169.3
[M+CH3COO]- 351.03347 214.2
[M+Na-2H]- 312.99429 170.0
[M]+ 292.01907 169.2
[M]- 292.02017 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.