CID 3066037

2-methyl-2-phenylmorpholine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1(CNCCO1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

NCMLYFQBONKWAE-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 177.11537 Da
Monoisotopic Mass: 1.1
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]+	178.122646	139.3
[M+Na]+	200.104588	144.8
[M-H]-	176.108094	143.2
[M+NH4]+	195.149193	157.5
[M+K]+	216.078528	143.0
[M+H-H2O]+	160.112630	132.2
[M+HCOO]-	222.113571	156.9
[M+CH3COO]-	236.129221	151.2
[M+Na-2H]-	198.090036	147.3
[M]+	177.11482142	134.0
[M]-	177.11591858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe