CID 3614542

Butanedithioamide

Structural Information

Molecular Formula
C4H8N2S2
SMILES
C(CC(=S)N)C(=S)N
InChI
InChI=1S/C4H8N2S2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
InChIKey
TWSHKUQTOUCGMY-UHFFFAOYSA-N
Compound name
butanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

148.0129 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02018 127.9
[M+Na]+ 171.00212 133.8
[M-H]- 147.00562 126.7
[M+NH4]+ 166.04672 147.9
[M+K]+ 186.97606 129.6
[M+H-H2O]+ 131.01016 122.0
[M+HCOO]- 193.01110 139.0
[M+CH3COO]- 207.02675 178.2
[M+Na-2H]- 168.98757 126.3
[M]+ 148.01235 124.5
[M]- 148.01345 124.5
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

patents stripe