CID 3021245

2-(morpholinomethyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

C1CCC2=C(C1)CC(C2=O)CN3CCOCC3

InChI

InChI=1S/C14H21NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h12H,1-10H2

InChIKey

XKPYNUJWLRCVRM-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.15723 Da
Monoisotopic Mass: 1.2
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]+	236.164506	155.1
[M+Na]+	258.146448	159.0
[M-H]-	234.149954	160.2
[M+NH4]+	253.191053	172.4
[M+K]+	274.120388	156.9
[M+H-H2O]+	218.154490	147.5
[M+HCOO]-	280.155431	169.7
[M+CH3COO]-	294.171081	165.6
[M+Na-2H]-	256.131896	156.6
[M]+	235.15668142	149.0
[M]-	235.15777858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.