CID 837887

N-[3-(methylsulfanyl)phenyl]propanamide

Structural Information

Molecular Formula
C10H13NOS
SMILES
CCC(=O)NC1=CC(=CC=C1)SC
InChI
InChI=1S/C10H13NOS/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
LXTGNZPKFXTWKD-UHFFFAOYSA-N
Compound name
N-(3-methylsulfanylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

195.0718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 141.3
[M+Na]+ 218.06102 148.5
[M-H]- 194.06452 145.2
[M+NH4]+ 213.10562 161.2
[M+K]+ 234.03496 145.6
[M+H-H2O]+ 178.06906 135.2
[M+HCOO]- 240.07000 160.5
[M+CH3COO]- 254.08565 185.4
[M+Na-2H]- 216.04647 144.2
[M]+ 195.07125 143.3
[M]- 195.07235 143.3
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

No patent data available for this compound.