CID 45787862

2-bromo-6-cyclopropylpyridine

Structural Information

Molecular Formula
C8H8BrN
SMILES
C1CC1C2=NC(=CC=C2)Br
InChI
InChI=1S/C8H8BrN/c9-8-3-1-2-7(10-8)6-4-5-6/h1-3,6H,4-5H2
InChIKey
ZVQSZDKUCGKHQL-UHFFFAOYSA-N
Compound name
2-bromo-6-cyclopropylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

196.98401 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.991286 135.2
[M+Na]+ 219.973228 149.1
[M-H]- 195.976734 144.2
[M+NH4]+ 215.017833 152.6
[M+K]+ 235.947168 138.0
[M+H-H2O]+ 179.981270 134.4
[M+HCOO]- 241.982211 157.1
[M+CH3COO]- 255.997861 150.8
[M+Na-2H]- 217.958676 144.4
[M]+ 196.98346142 154.4
[M]- 196.98455858 154.4
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