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

11
Patents

246.9858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 134.4
[M+Na]+ 269.975018 135.6
[M-H]- 245.978524 129.9
[M+NH4]+ 265.019623 150.0
[M+K]+ 285.948958 139.9
[M+H-H2O]+ 229.983060 124.8
[M+HCOO]- 291.984001 151.7
[M+CH3COO]- 305.999651 184.7
[M+Na-2H]- 267.960466 129.0
[M]+ 246.98525142 131.8
[M]- 246.98634858 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