CID 91162875

2-cyclopropyl-5-iodopyridine

Structural Information

Molecular Formula
C8H8IN
SMILES
C1CC1C2=NC=C(C=C2)I
InChI
InChI=1S/C8H8IN/c9-7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2
InChIKey
UOKNOGWGWGTPES-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.97015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97743 133.7
[M+Na]+ 267.95937 137.2
[M-H]- 243.96287 133.2
[M+NH4]+ 263.00397 144.9
[M+K]+ 283.93331 140.0
[M+H-H2O]+ 227.96741 123.3
[M+HCOO]- 289.96835 152.7
[M+CH3COO]- 303.98400 185.7
[M+Na-2H]- 265.94482 130.3
[M]+ 244.96960 132.7
[M]- 244.97070 132.7
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