CID 53305856

2361635-27-8

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=NC=C(C=C1)CCBr
InChI
InChI=1S/C8H10BrN/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4-5H2,1H3
InChIKey
CQDJTHLAWUGLOV-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 132.9
[M+Na]+ 221.98888 145.0
[M-H]- 197.99238 138.1
[M+NH4]+ 217.03348 154.9
[M+K]+ 237.96282 134.3
[M+H-H2O]+ 181.99692 133.0
[M+HCOO]- 243.99786 154.2
[M+CH3COO]- 258.01351 182.8
[M+Na-2H]- 219.97433 142.2
[M]+ 198.99911 152.1
[M]- 199.00021 152.1
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