CID 12747056

4-(3-bromopropyl)pyridine hydrobromide

Structural Information

Molecular Formula
C8H10BrN
SMILES
C1=CN=CC=C1CCCBr
InChI
InChI=1S/C8H10BrN/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2
InChIKey
WRRGKVSSGVGACC-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

198.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 133.5
[M+Na]+ 221.988878 144.6
[M-H]- 197.992384 138.3
[M+NH4]+ 217.033483 155.1
[M+K]+ 237.962818 134.0
[M+H-H2O]+ 181.996920 133.4
[M+HCOO]- 243.997861 154.7
[M+CH3COO]- 258.013511 181.8
[M+Na-2H]- 219.974326 143.4
[M]+ 198.99911142 152.2
[M]- 199.00020858 152.2
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