CID 208683

32808-67-6

Structural Information

Molecular Formula

C₁₈H₂₆ClNO₂

SMILES

CC(C)(C)C1=C(C=C(C=C1)CCCC(=O)N2CCOCC2)Cl

InChI

InChI=1S/C18H26ClNO2/c1-18(2,3)15-8-7-14(13-16(15)19)5-4-6-17(21)20-9-11-22-12-10-20/h7-8,13H,4-6,9-12H2,1-3H3

InChIKey

KJOYLIOWQRXSSX-UHFFFAOYSA-N

Compound name

4-(4-tert-butyl-3-chlorophenyl)-1-morpholin-4-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 323.1652 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]+	324.172476	179.1
[M+Na]+	346.154418	184.1
[M-H]-	322.157924	183.8
[M+NH4]+	341.199023	191.5
[M+K]+	362.128358	180.4
[M+H-H2O]+	306.162460	171.4
[M+HCOO]-	368.163401	189.0
[M+CH3COO]-	382.179051	206.8
[M+Na-2H]-	344.139866	180.5
[M]+	323.16465142	180.2
[M]-	323.16574858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe