CID 156906

Cp 88304

Structural Information

Molecular Formula

C₁₅H₂₂ClNO₂

SMILES

CC1=C(C(=CC=C1)OCCC(C)C)N(C)C(=O)CCl

InChI

InChI=1S/C15H22ClNO2/c1-11(2)8-9-19-13-7-5-6-12(3)15(13)17(4)14(18)10-16/h5-7,11H,8-10H2,1-4H3

InChIKey

UBAGJCNJDBGZPW-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 283.1339 Da
Monoisotopic Mass: 3.9
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]+	284.141176	166.4
[M+Na]+	306.123118	173.0
[M-H]-	282.126624	171.1
[M+NH4]+	301.167723	183.9
[M+K]+	322.097058	170.4
[M+H-H2O]+	266.131160	160.4
[M+HCOO]-	328.132101	184.7
[M+CH3COO]-	342.147751	207.9
[M+Na-2H]-	304.108566	166.7
[M]+	283.13335142	172.8
[M]-	283.13444858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe