CID 12454243

Butanethioamide

Structural Information

Molecular Formula
C4H9NS
SMILES
CCCC(=S)N
InChI
InChI=1S/C4H9NS/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
WPLXTOVHRYJKSG-UHFFFAOYSA-N
Compound name
butanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

502
Patents

103.04557 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 119.2
[M+Na]+ 126.03479 126.5
[M-H]- 102.03829 119.5
[M+NH4]+ 121.07939 142.3
[M+K]+ 142.00873 125.1
[M+H-H2O]+ 86.042830 114.6
[M+HCOO]- 148.04377 137.5
[M+CH3COO]- 162.05942 169.0
[M+Na-2H]- 124.02024 121.7
[M]+ 103.04502 118.6
[M]- 103.04612 118.6
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.