CID 68340763

1370025-59-4

Structural Information

Molecular Formula

C₉H₁₁IN₂O

SMILES

C1COCCN1C2=NC=CC(=C2)I

InChI

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

InChIKey

UMTJVSIWAHQLDA-UHFFFAOYSA-N

Compound name

4-(4-iodo-2-pyridinyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	290.998876	143.7
[M+Na]+	312.980818	143.1
[M-H]-	288.984324	140.2
[M+NH4]+	308.025423	154.3
[M+K]+	328.954758	147.7
[M+H-H2O]+	272.988860	131.6
[M+HCOO]-	334.989801	156.9
[M+CH3COO]-	349.005451	151.4
[M+Na-2H]-	310.966266	139.2
[M]+	289.99105142	137.7
[M]-	289.99214858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe