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]+ 104.052846 119.2
[M+Na]+ 126.034788 126.5
[M-H]- 102.038294 119.5
[M+NH4]+ 121.079393 142.3
[M+K]+ 142.008728 125.1
[M+H-H2O]+ 86.042830 114.6
[M+HCOO]- 148.043771 137.5
[M+CH3COO]- 162.059421 169.0
[M+Na-2H]- 124.020236 121.7
[M]+ 103.04502142 118.6
[M]- 103.04611858 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

literature stripe

Patent stripe

patents stripe