CID 68340763

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

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-iodopyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

289.9916 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 143.7
[M+Na]+ 312.98082 143.1
[M-H]- 288.98432 140.2
[M+NH4]+ 308.02542 154.3
[M+K]+ 328.95476 147.7
[M+H-H2O]+ 272.98886 131.6
[M+HCOO]- 334.98980 156.9
[M+CH3COO]- 349.00545 151.4
[M+Na-2H]- 310.96627 139.2
[M]+ 289.99105 137.7
[M]- 289.99215 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe