CID 9589066

133662-15-4

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

CC(C)C(=O)N/N=C(\C)/C1=CC=CC=C1Cl

InChI

InChI=1S/C12H15ClN2O/c1-8(2)12(16)15-14-9(3)10-6-4-5-7-11(10)13/h4-8H,1-3H3,(H,15,16)/b14-9+

InChIKey

HUNSWBDYZGCGEF-NTEUORMPSA-N

Compound name

N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.0873 Da
Monoisotopic Mass: 3.1
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]+	239.094576	154.5
[M+Na]+	261.076518	161.0
[M-H]-	237.080024	159.3
[M+NH4]+	256.121123	173.1
[M+K]+	277.050458	157.9
[M+H-H2O]+	221.084560	148.6
[M+HCOO]-	283.085501	174.7
[M+CH3COO]-	297.101151	199.2
[M+Na-2H]-	259.061966	157.1
[M]+	238.08675142	156.4
[M]-	238.08784858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.