CID 5150735

3-phenylpropanethioamide

Structural Information

Molecular Formula
C9H11NS
SMILES
C1=CC=C(C=C1)CCC(=S)N
InChI
InChI=1S/C9H11NS/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKey
LDFXFTLANQXFQF-UHFFFAOYSA-N
Compound name
3-phenylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

165.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 134.4
[M+Na]+ 188.05044 145.8
[M+NH4]+ 183.09504 143.9
[M+K]+ 204.02438 137.1
[M-H]- 164.05394 137.6
[M+Na-2H]- 186.03589 141.1
[M]+ 165.06067 137.3
[M]- 165.06177 137.3
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