CID 3283983

3-benzylmorpholine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1COCC(N1)CC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2

InChIKey

LSXCLMMIDIVSFG-UHFFFAOYSA-N

Compound name

3-benzylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 177.11537 Da
Monoisotopic Mass: 1.4
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	138.9
[M+Na]+	200.104588	143.4
[M-H]-	176.108094	142.4
[M+NH4]+	195.149193	155.0
[M+K]+	216.078528	141.3
[M+H-H2O]+	160.112630	131.3
[M+HCOO]-	222.113571	156.5
[M+CH3COO]-	236.129221	150.4
[M+Na-2H]-	198.090036	146.0
[M]+	177.11482142	133.3
[M]-	177.11591858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe