CID 3066041

109461-18-9

Structural Information

Molecular Formula

C₁₄H₂₀ClNO

SMILES

CC(C)N1CCOC(C1)(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClNO/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3

InChIKey

DTAXBQULWKBDDQ-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.12334 Da
Monoisotopic Mass: 3.0
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]+	254.130616	157.3
[M+Na]+	276.112558	164.2
[M-H]-	252.116064	162.7
[M+NH4]+	271.157163	174.6
[M+K]+	292.086498	161.4
[M+H-H2O]+	236.120600	150.5
[M+HCOO]-	298.121541	169.8
[M+CH3COO]-	312.137191	194.1
[M+Na-2H]-	274.098006	161.2
[M]+	253.12279142	157.1
[M]-	253.12388858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe