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

1509
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 123.6
[M+Na]+ 193.95757 136.5
[M-H]- 169.96107 129.1
[M+NH4]+ 189.00217 146.6
[M+K]+ 209.93151 126.3
[M+H-H2O]+ 153.96561 124.1
[M+HCOO]- 215.96655 145.5
[M+CH3COO]- 229.98220 177.1
[M+Na-2H]- 191.94302 134.0
[M]+ 170.96780 142.0
[M]- 170.96890 142.0
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