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

332
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 120.3
[M+Na]+ 126.03479 129.7
[M+NH4]+ 121.07939 129.3
[M+K]+ 142.00873 122.6
[M-H]- 102.03829 120.9
[M+Na-2H]- 124.02024 123.7
[M]+ 103.04502 122.1
[M]- 103.04612 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe