CID 53932

77966-68-8

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

CCCNCC(=O)NC1=C(C=CC=C1Cl)C

InChI

InChI=1S/C12H17ClN2O/c1-3-7-14-8-11(16)15-12-9(2)5-4-6-10(12)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)

InChIKey

WDJDZHLACHMCIN-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(propylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.10294 Da
Monoisotopic Mass: 1.7
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]+	241.11022	155.2
[M+Na]+	263.09216	162.3
[M-H]-	239.09566	158.7
[M+NH4]+	258.13676	173.5
[M+K]+	279.06610	157.9
[M+H-H2O]+	223.10020	149.5
[M+HCOO]-	285.10114	175.6
[M+CH3COO]-	299.11679	197.6
[M+Na-2H]-	261.07761	159.0
[M]+	240.10239	157.5
[M]-	240.10349	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe