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

57
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

No literature data available for this compound.

Patent stripe

patents stripe