CID 57656496

2-(1-bromoethyl)-3-methylpyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=C(N=CC=C1)C(C)Br
InChI
InChI=1S/C8H10BrN/c1-6-4-3-5-10-8(6)7(2)9/h3-5,7H,1-2H3
InChIKey
OQCBNUBXPVRFNU-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

198.99966 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.1
[M+Na]+ 221.98888 137.4
[M+NH4]+ 217.03348 138.7
[M+K]+ 237.96282 137.1
[M-H]- 197.99238 133.9
[M+Na-2H]- 219.97433 137.8
[M]+ 198.99911 132.8
[M]- 199.00021 132.8
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