CID 21874743

2-(bromomethyl)-6-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)C1=CC=CC(=N1)CBr
InChI
InChI=1S/C9H12BrN/c1-7(2)9-5-3-4-8(6-10)11-9/h3-5,7H,6H2,1-2H3
InChIKey
DNFLPQFSDKFUCX-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

213.0153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.1
[M+Na]+ 236.00452 149.5
[M-H]- 212.00802 143.2
[M+NH4]+ 231.04912 159.5
[M+K]+ 251.97846 138.9
[M+H-H2O]+ 196.01256 138.1
[M+HCOO]- 258.01350 158.1
[M+CH3COO]- 272.02915 186.3
[M+Na-2H]- 233.98997 145.6
[M]+ 213.01475 157.0
[M]- 213.01585 157.0
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