CID 54447530

N-butylpropanethioamide

Structural Information

Molecular Formula
C7H15NS
SMILES
CCCCNC(=S)CC
InChI
InChI=1S/C7H15NS/c1-3-5-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
InChIKey
WSPDKIOUYJCUCY-UHFFFAOYSA-N
Compound name
N-butylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

145.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 132.4
[M+Na]+ 168.081728 138.5
[M-H]- 144.085234 132.7
[M+NH4]+ 163.126333 154.2
[M+K]+ 184.055668 136.7
[M+H-H2O]+ 128.089770 127.2
[M+HCOO]- 190.090711 150.4
[M+CH3COO]- 204.106361 178.1
[M+Na-2H]- 166.067176 134.4
[M]+ 145.09196142 133.8
[M]- 145.09305858 133.8
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