CID 155973018

2648939-09-5

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C=CC1(COCCN1)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c1-2-12(10-14-9-8-13-12)11-6-4-3-5-7-11/h2-7,13H,1,8-10H2

InChIKey

GGISPGGQYDIRIL-UHFFFAOYSA-N

Compound name

3-ethenyl-3-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.11537 Da
Monoisotopic Mass: 1.6
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]+	190.122646	142.7
[M+Na]+	212.104588	148.1
[M-H]-	188.108094	146.5
[M+NH4]+	207.149193	160.3
[M+K]+	228.078528	145.5
[M+H-H2O]+	172.112630	135.5
[M+HCOO]-	234.113571	160.2
[M+CH3COO]-	248.129221	154.3
[M+Na-2H]-	210.090036	150.2
[M]+	189.11482142	137.1
[M]-	189.11591858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.