CID 17750161

470463-40-2

Structural Information

Molecular Formula

C₉H₁₁IN₂O

SMILES

C1COCCN1C2=C(C=CC=N2)I

InChI

InChI=1S/C9H11IN2O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7H2

InChIKey

QFHWWOMWOKEOOV-UHFFFAOYSA-N

Compound name

4-(3-iodopyridin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 289.9916 Da
Monoisotopic Mass: 1.6
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]+	290.99888	146.2
[M+Na]+	312.98082	152.1
[M+NH4]+	308.02542	150.5
[M+K]+	328.95476	149.0
[M-H]-	288.98432	144.4
[M+Na-2H]-	310.96627	141.4
[M]+	289.99105	145.5
[M]-	289.99215	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe