CID 12798020

2-phenyl-n-(2-sulfanylethyl)acetamide

Structural Information

Molecular Formula
C10H13NOS
SMILES
C1=CC=C(C=C1)CC(=O)NCCS
InChI
InChI=1S/C10H13NOS/c12-10(11-6-7-13)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,11,12)
InChIKey
FGPDGPFUMPRNDB-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-sulfanylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

195.0718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 141.7
[M+Na]+ 218.06102 148.1
[M-H]- 194.06452 145.2
[M+NH4]+ 213.10562 161.3
[M+K]+ 234.03496 145.1
[M+H-H2O]+ 178.06906 135.4
[M+HCOO]- 240.07000 161.0
[M+CH3COO]- 254.08565 184.3
[M+Na-2H]- 216.04647 145.3
[M]+ 195.07125 143.4
[M]- 195.07235 143.4
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