CID 17750184

2-ethoxy-3-iodopyridine

Structural Information

Molecular Formula
C7H8INO
SMILES
CCOC1=C(C=CC=N1)I
InChI
InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
QOCXFQFGXYWCHJ-UHFFFAOYSA-N
Compound name
2-ethoxy-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

248.96506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.972336 134.5
[M+Na]+ 271.954278 136.3
[M-H]- 247.957784 130.0
[M+NH4]+ 266.998883 150.0
[M+K]+ 287.928218 140.9
[M+H-H2O]+ 231.962320 124.7
[M+HCOO]- 293.963261 153.3
[M+CH3COO]- 307.978911 182.9
[M+Na-2H]- 269.939726 130.6
[M]+ 248.96451142 133.5
[M]- 248.96560858 133.5
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