CID 50987501

2-chloro-n-(prop-2-en-1-yl)-n-(thiophen-2-ylmethyl)propanamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNOS

SMILES

CC(C(=O)N(CC=C)CC1=CC=CS1)Cl

InChI

InChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3

InChIKey

IMXRYFAWSYWFNI-UHFFFAOYSA-N

Compound name

2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.04846 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]+	244.055736	156.8
[M+Na]+	266.037678	163.6
[M-H]-	242.041184	161.8
[M+NH4]+	261.082283	177.7
[M+K]+	282.011618	160.1
[M+H-H2O]+	226.045720	151.4
[M+HCOO]-	288.046661	171.5
[M+CH3COO]-	302.062311	194.5
[M+Na-2H]-	264.023126	155.1
[M]+	243.04791142	161.6
[M]-	243.04900858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.