CID 119723

N-(4-(methylthio)phenyl)acrylamide

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

CSC1=CC=C(C=C1)NC(=O)C=C

InChI

InChI=1S/C10H11NOS/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)

InChIKey

JFYDGNATTIHYIB-UHFFFAOYSA-N

Compound name

N-(4-methylsulfanylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 193.05614 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.063416	140.3
[M+Na]+	216.045358	147.8
[M-H]-	192.048864	144.2
[M+NH4]+	211.089963	160.2
[M+K]+	232.019298	144.2
[M+H-H2O]+	176.053400	134.3
[M+HCOO]-	238.054341	159.7
[M+CH3COO]-	252.069991	184.5
[M+Na-2H]-	214.030806	143.2
[M]+	193.05559142	141.6
[M]-	193.05668858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe