CID 3087066

Carbamic acid, (4-(nonyloxy)phenyl)-, 2-(morpholino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula

C₂₂H₃₆N₂O₄

SMILES

CCCCCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCOCC2

InChI

InChI=1S/C22H36N2O4/c1-2-3-4-5-6-7-8-16-27-21-11-9-20(10-12-21)23-22(25)28-19-15-24-13-17-26-18-14-24/h9-12H,2-8,13-19H2,1H3,(H,23,25)

InChIKey

ZTMAPGYBTWPXMW-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl N-(4-nonoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 392.26752 Da
Monoisotopic Mass: 5.1
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]+	393.274796	200.2
[M+Na]+	415.256738	200.0
[M-H]-	391.260244	203.3
[M+NH4]+	410.301343	207.7
[M+K]+	431.230678	197.9
[M+H-H2O]+	375.264780	189.3
[M+HCOO]-	437.265721	216.3
[M+CH3COO]-	451.281371	222.6
[M+Na-2H]-	413.242186	200.5
[M]+	392.26697142	202.7
[M]-	392.26806858	202.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.