CID 12249158

4-(4-ethynylphenyl)morpholine

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C#CC1=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C12H13NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-6H,7-10H2

InChIKey

GCDSLECRPQHOJR-UHFFFAOYSA-N

Compound name

4-(4-ethynylphenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 187.09972 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]+	188.10700	145.0
[M+Na]+	210.08894	158.3
[M+NH4]+	205.13354	150.4
[M+K]+	226.06288	148.0
[M-H]-	186.09244	141.9
[M+Na-2H]-	208.07439	149.5
[M]+	187.09917	145.2
[M]-	187.10027	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe