CID 23075338

2-(2-bromopropyl)pyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC(CC1=CC=CC=N1)Br
InChI
InChI=1S/C8H10BrN/c1-7(9)6-8-4-2-3-5-10-8/h2-5,7H,6H2,1H3
InChIKey
NMGHANOTFGYPMM-UHFFFAOYSA-N
Compound name
2-(2-bromopropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

198.99966 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 134.2
[M+Na]+ 221.988878 145.0
[M-H]- 197.992384 139.1
[M+NH4]+ 217.033483 155.7
[M+K]+ 237.962818 134.8
[M+H-H2O]+ 181.996920 134.1
[M+HCOO]- 243.997861 154.4
[M+CH3COO]- 258.013511 182.5
[M+Na-2H]- 219.974326 142.9
[M]+ 198.99911142 152.3
[M]- 199.00020858 152.3
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