CID 817630

3-bromo-4-methylpyridine

Structural Information

Molecular Formula
C6H6BrN
SMILES
CC1=C(C=NC=C1)Br
InChI
InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey
GSQZOLXWFQQJHJ-UHFFFAOYSA-N
Compound name
3-bromo-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1392
Patents

170.96835 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97563 125.2
[M+Na]+ 193.95757 130.2
[M+NH4]+ 189.00217 131.2
[M+K]+ 209.93151 129.6
[M-H]- 169.96107 126.3
[M+Na-2H]- 191.94302 130.7
[M]+ 170.96780 125.2
[M]- 170.96890 125.2
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