CID 89599062

4-iodo-2-methoxy-5-methylpyridine

Structural Information

Molecular Formula
C7H8INO
SMILES
CC1=CN=C(C=C1I)OC
InChI
InChI=1S/C7H8INO/c1-5-4-9-7(10-2)3-6(5)8/h3-4H,1-2H3
InChIKey
FCGALBYRWLDYAH-UHFFFAOYSA-N
Compound name
4-iodo-2-methoxy-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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 133.3
[M+Na]+ 271.954278 136.0
[M-H]- 247.957784 129.2
[M+NH4]+ 266.998883 149.1
[M+K]+ 287.928218 140.6
[M+H-H2O]+ 231.962320 123.8
[M+HCOO]- 293.963261 152.1
[M+CH3COO]- 307.978911 183.9
[M+Na-2H]- 269.939726 128.8
[M]+ 248.96451142 132.7
[M]- 248.96560858 132.7
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