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

3
Patents

145.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 132.4
[M+Na]+ 168.08173 138.5
[M-H]- 144.08523 132.7
[M+NH4]+ 163.12633 154.2
[M+K]+ 184.05567 136.7
[M+H-H2O]+ 128.08977 127.2
[M+HCOO]- 190.09071 150.4
[M+CH3COO]- 204.10636 178.1
[M+Na-2H]- 166.06718 134.4
[M]+ 145.09196 133.8
[M]- 145.09306 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