CID 6604876

5-iodo-a-85380

Structural Information

Molecular Formula
C9H11IN2O
SMILES
C1CN[C@@H]1COC2=CC(=CN=C2)I
InChI
InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKey
RKVRGRXOYDTUEY-QMMMGPOBSA-N
Compound name
3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

44
Patents

289.9916 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 143.9
[M+Na]+ 312.98082 144.9
[M+NH4]+ 308.02542 144.0
[M+K]+ 328.95476 143.9
[M-H]- 288.98432 137.4
[M+Na-2H]- 310.96627 136.8
[M]+ 289.99105 140.0
[M]- 289.99215 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe