CID 245934

3-(bromomethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C6H6BrN
SMILES
C1=CC(=CN=C1)CBr
InChI
InChI=1S/C6H6BrN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2
InChIKey
KHCXGFNZZRXOND-UHFFFAOYSA-N
Compound name
3-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3800
Patents

170.96835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97563 124.1
[M+Na]+ 193.95757 136.1
[M-H]- 169.96107 129.3
[M+NH4]+ 189.00217 146.9
[M+K]+ 209.93151 126.0
[M+H-H2O]+ 153.96561 124.5
[M+HCOO]- 215.96655 146.1
[M+CH3COO]- 229.98220 176.1
[M+Na-2H]- 191.94302 135.2
[M]+ 170.96780 142.3
[M]- 170.96890 142.3
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