CID 768761

92248-59-4

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCOCC3

InChI

InChI=1S/C14H15NO3/c1-10-11-4-2-3-5-12(11)18-13(10)14(16)15-6-8-17-9-7-15/h2-5H,6-9H2,1H3

InChIKey

RAZPIHGOBANJIH-UHFFFAOYSA-N

Compound name

(3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 245.1052 Da
Monoisotopic Mass: 2.1
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]+	246.112476	153.2
[M+Na]+	268.094418	161.1
[M-H]-	244.097924	160.8
[M+NH4]+	263.139023	169.2
[M+K]+	284.068358	160.4
[M+H-H2O]+	228.102460	146.0
[M+HCOO]-	290.103401	171.9
[M+CH3COO]-	304.119051	166.0
[M+Na-2H]-	266.079866	158.3
[M]+	245.10465142	154.4
[M]-	245.10574858	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.