CID 12701568

3-(3-bromopropyl)pyridine hydrobromide

Structural Information

Molecular Formula
C8H10BrN
SMILES
C1=CC(=CN=C1)CCCBr
InChI
InChI=1S/C8H10BrN/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2
InChIKey
BJTBTVNTKNDUJP-UHFFFAOYSA-N
Compound name
3-(3-bromopropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

198.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.5
[M+Na]+ 221.98888 144.6
[M-H]- 197.99238 138.3
[M+NH4]+ 217.03348 155.1
[M+K]+ 237.96282 134.0
[M+H-H2O]+ 181.99692 133.4
[M+HCOO]- 243.99786 154.7
[M+CH3COO]- 258.01351 181.8
[M+Na-2H]- 219.97433 143.4
[M]+ 198.99911 152.2
[M]- 199.00021 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

literature stripe

Patent stripe

patents stripe