CID 56637409

2-bromo-3-ethylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CCC1=C(N=CC=C1)Br
InChI
InChI=1S/C7H8BrN/c1-2-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKey
CCFSFJBKZLDTAX-UHFFFAOYSA-N
Compound name
2-bromo-3-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

184.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.991286 128.2
[M+Na]+ 207.973228 140.7
[M-H]- 183.976734 133.6
[M+NH4]+ 203.017833 150.8
[M+K]+ 223.947168 130.3
[M+H-H2O]+ 167.981270 128.6
[M+HCOO]- 229.982211 149.8
[M+CH3COO]- 243.997861 179.9
[M+Na-2H]- 205.958676 138.1
[M]+ 184.98346142 147.1
[M]- 184.98455858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe