CID 23437042

4-iodo-2-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C8H10IN
SMILES
CC(C)C1=NC=CC(=C1)I
InChI
InChI=1S/C8H10IN/c1-6(2)8-5-7(9)3-4-10-8/h3-6H,1-2H3
InChIKey
VBEUGGKTGMMKBS-UHFFFAOYSA-N
Compound name
4-iodo-2-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.9858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 134.4
[M+Na]+ 269.97502 135.6
[M-H]- 245.97852 129.9
[M+NH4]+ 265.01962 150.0
[M+K]+ 285.94896 139.9
[M+H-H2O]+ 229.98306 124.8
[M+HCOO]- 291.98400 151.7
[M+CH3COO]- 305.99965 184.7
[M+Na-2H]- 267.96047 129.0
[M]+ 246.98525 131.8
[M]- 246.98635 131.8
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