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

64
Patents

198.99966 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.2
[M+Na]+ 221.98888 145.0
[M-H]- 197.99238 139.1
[M+NH4]+ 217.03348 155.7
[M+K]+ 237.96282 134.8
[M+H-H2O]+ 181.99692 134.1
[M+HCOO]- 243.99786 154.4
[M+CH3COO]- 258.01351 182.5
[M+Na-2H]- 219.97433 142.9
[M]+ 198.99911 152.3
[M]- 199.00021 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