CID 53916

77966-56-4

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)N(C)C(=O)CN(C)C

InChI

InChI=1S/C12H17ClN2O/c1-9-6-5-7-10(13)12(9)15(4)11(16)8-14(2)3/h5-7H,8H2,1-4H3

InChIKey

LHXMHVIAXACVMZ-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(dimethylamino)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.10294 Da
Monoisotopic Mass: 2.3
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]+	241.110216	154.5
[M+Na]+	263.092158	162.0
[M-H]-	239.095664	161.1
[M+NH4]+	258.136763	174.1
[M+K]+	279.066098	160.4
[M+H-H2O]+	223.100200	148.5
[M+HCOO]-	285.101141	176.0
[M+CH3COO]-	299.116791	204.5
[M+Na-2H]-	261.077606	157.0
[M]+	240.10239142	159.5
[M]-	240.10348858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.