CID 22392012

5-bromo-2-(2-methylpropyl)pyridine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)CC1=NC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-7(2)5-9-4-3-8(10)6-11-9/h3-4,6-7H,5H2,1-2H3
InChIKey
VDFLEFNRQLYKCZ-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methylpropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

213.0153 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 138.1
[M+Na]+ 236.004518 149.5
[M-H]- 212.008024 143.2
[M+NH4]+ 231.049123 159.5
[M+K]+ 251.978458 138.9
[M+H-H2O]+ 196.012560 138.1
[M+HCOO]- 258.013501 158.1
[M+CH3COO]- 272.029151 186.3
[M+Na-2H]- 233.989966 145.6
[M]+ 213.01475142 157.0
[M]- 213.01584858 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