CID 129948961

3-iodo-2-methoxy-4-methylpyridine

Structural Information

Molecular Formula
C7H8INO
SMILES
CC1=C(C(=NC=C1)OC)I
InChI
InChI=1S/C7H8INO/c1-5-3-4-9-7(10-2)6(5)8/h3-4H,1-2H3
InChIKey
GQPXSPKJNSKBGZ-UHFFFAOYSA-N
Compound name
3-iodo-2-methoxy-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.96506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97234 133.3
[M+Na]+ 271.95428 136.0
[M-H]- 247.95778 129.2
[M+NH4]+ 266.99888 149.1
[M+K]+ 287.92822 140.6
[M+H-H2O]+ 231.96232 123.8
[M+HCOO]- 293.96326 152.1
[M+CH3COO]- 307.97891 183.9
[M+Na-2H]- 269.93973 128.8
[M]+ 248.96451 132.7
[M]- 248.96561 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