CID 155970428

2-cyclobutyl-4-iodopyridine

Structural Information

Molecular Formula
C9H10IN
SMILES
C1CC(C1)C2=NC=CC(=C2)I
InChI
InChI=1S/C9H10IN/c10-8-4-5-11-9(6-8)7-2-1-3-7/h4-7H,1-3H2
InChIKey
LZXNWHXEMCPTKQ-UHFFFAOYSA-N
Compound name
2-cyclobutyl-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99308 132.9
[M+Na]+ 281.97502 133.0
[M-H]- 257.97852 131.0
[M+NH4]+ 277.01962 141.9
[M+K]+ 297.94896 139.2
[M+H-H2O]+ 241.98306 118.2
[M+HCOO]- 303.98400 149.5
[M+CH3COO]- 317.99965 188.1
[M+Na-2H]- 279.96047 128.5
[M]+ 258.98525 136.8
[M]- 258.98635 136.8
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

No patent data available for this compound.