CID 3033541

Di-n-butyl vinylenebis(thiocarbamate)

Structural Information

Molecular Formula
C12H22N2O2S2
SMILES
CCCCSC(=O)N/C=C/NC(=O)SCCCC
InChI
InChI=1S/C12H22N2O2S2/c1-3-5-9-17-11(15)13-7-8-14-12(16)18-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,13,15)(H,14,16)/b8-7+
InChIKey
ZDUQNQKBNZWKPZ-BQYQJAHWSA-N
Compound name
S-butyl N-[(E)-2-(butylsulfanylcarbonylamino)ethenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11227 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11955 167.8
[M+Na]+ 313.10149 170.6
[M-H]- 289.10499 166.3
[M+NH4]+ 308.14609 183.0
[M+K]+ 329.07543 165.6
[M+H-H2O]+ 273.10953 160.3
[M+HCOO]- 335.11047 178.7
[M+CH3COO]- 349.12612 202.8
[M+Na-2H]- 311.08694 165.1
[M]+ 290.11172 171.0
[M]- 290.11282 171.0
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.