CID 3069387

84590-61-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CNC2=CC=CC(=C21)C3CNCCO3

InChI

InChI=1S/C12H16N2O/c1-2-10(12-8-13-6-7-15-12)9-4-5-14-11(9)3-1/h1-3,12-14H,4-8H2

InChIKey

VFKFKBOMPDBEAR-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-indol-4-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.12627 Da
Monoisotopic Mass: 1.0
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]+	205.133546	145.4
[M+Na]+	227.115488	150.3
[M-H]-	203.118994	147.1
[M+NH4]+	222.160093	161.3
[M+K]+	243.089428	146.5
[M+H-H2O]+	187.123530	137.5
[M+HCOO]-	249.124471	158.9
[M+CH3COO]-	263.140121	155.7
[M+Na-2H]-	225.100936	149.7
[M]+	204.12572142	137.4
[M]-	204.12681858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe