CID 17750185

766557-61-3

Structural Information

Molecular Formula
C8H10INO
SMILES
CC(C)OC1=C(C=CC=N1)I
InChI
InChI=1S/C8H10INO/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,1-2H3
InChIKey
MXOOTBPBNFQVQE-UHFFFAOYSA-N
Compound name
3-iodo-2-propan-2-yloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

262.9807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98798 139.2
[M+Na]+ 285.96992 140.3
[M-H]- 261.97342 134.6
[M+NH4]+ 281.01452 154.1
[M+K]+ 301.94386 145.1
[M+H-H2O]+ 245.97796 129.3
[M+HCOO]- 307.97890 156.7
[M+CH3COO]- 321.99455 186.5
[M+Na-2H]- 283.95537 133.5
[M]+ 262.98015 137.9
[M]- 262.98125 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