CID 71693

Fomocaine

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

C1COCCN1CCCC2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C20H25NO2/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-12-21-13-15-22-16-14-21/h1-3,6-11H,4-5,12-17H2

InChIKey

CVHGCWVMTZWGAY-UHFFFAOYSA-N

Compound name

4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 41
References: 1484
Patents: 311.18854 Da
Monoisotopic Mass: 3.6
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]+	312.195816	176.1
[M+Na]+	334.177758	179.2
[M-H]-	310.181264	183.1
[M+NH4]+	329.222363	186.9
[M+K]+	350.151698	175.7
[M+H-H2O]+	294.185800	165.4
[M+HCOO]-	356.186741	193.5
[M+CH3COO]-	370.202391	185.3
[M+Na-2H]-	332.163206	180.2
[M]+	311.18799142	174.3
[M]-	311.18908858	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe