CID 66614013

4-iodo-2-isopropoxypyridine

Structural Information

Molecular Formula
C8H10INO
SMILES
CC(C)OC1=NC=CC(=C1)I
InChI
InChI=1S/C8H10INO/c1-6(2)11-8-5-7(9)3-4-10-8/h3-6H,1-2H3
InChIKey
PCGNXOCFTWLIOK-UHFFFAOYSA-N
Compound name
4-iodo-2-propan-2-yloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

262.9807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.987976 139.2
[M+Na]+ 285.969918 140.3
[M-H]- 261.973424 134.6
[M+NH4]+ 281.014523 154.1
[M+K]+ 301.943858 145.1
[M+H-H2O]+ 245.977960 129.3
[M+HCOO]- 307.978901 156.7
[M+CH3COO]- 321.994551 186.5
[M+Na-2H]- 283.955366 133.5
[M]+ 262.98015142 137.9
[M]- 262.98124858 137.9
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