CID 21822291

2-bromo-3,4-dimethylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=C(C(=NC=C1)Br)C
InChI
InChI=1S/C7H8BrN/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3
InChIKey
MUTMUJVXPZWDPY-UHFFFAOYSA-N
Compound name
2-bromo-3,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

184.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.991286 127.6
[M+Na]+ 207.973228 140.9
[M-H]- 183.976734 133.3
[M+NH4]+ 203.017833 150.4
[M+K]+ 223.947168 130.5
[M+H-H2O]+ 167.981270 128.1
[M+HCOO]- 229.982211 149.2
[M+CH3COO]- 243.997861 181.0
[M+Na-2H]- 205.958676 136.8
[M]+ 184.98346142 146.7
[M]- 184.98455858 146.7
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