CID 3002248

5439-67-8

Structural Information

Molecular Formula
C10H20N2S6
SMILES
CCCCNC(=S)SSSSC(=S)NCCCC
InChI
InChI=1S/C10H20N2S6/c1-3-5-7-11-9(13)15-17-18-16-10(14)12-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKey
LHUXQJFRIYLMHY-UHFFFAOYSA-N
Compound name
(butylcarbamothioyltrisulfanyl) N-butylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.9951 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00238 185.0
[M+Na]+ 382.98432 186.2
[M-H]- 358.98782 177.4
[M+NH4]+ 378.02892 193.0
[M+K]+ 398.95826 169.7
[M+H-H2O]+ 342.99236 175.6
[M+HCOO]- 404.99330 170.0
[M+CH3COO]- 419.00895 217.4
[M+Na-2H]- 380.96977 183.6
[M]+ 359.99455 173.5
[M]- 359.99565 173.5
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.