CID 790704

77280-34-3

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC1=CC=C(C=C1)NC(=O)N2CCOCC2

InChI

InChI=1S/C12H16N2O2/c1-10-2-4-11(5-3-10)13-12(15)14-6-8-16-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)

InChIKey

SZSAAHFMPUDLMZ-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)morpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 22
Patents: 220.12119 Da
Monoisotopic Mass: 1.1
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]+	221.12847	150.2
[M+Na]+	243.11041	154.9
[M-H]-	219.11391	155.5
[M+NH4]+	238.15501	165.2
[M+K]+	259.08435	153.8
[M+H-H2O]+	203.11845	141.9
[M+HCOO]-	265.11939	169.5
[M+CH3COO]-	279.13504	188.5
[M+Na-2H]-	241.09586	155.6
[M]+	220.12064	146.5
[M]-	220.12174	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe