CID 137963840

3-bromo-5-(2-methyloxetan-2-yl)pyridine

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1(CCO1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H10BrNO/c1-9(2-3-12-9)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3
InChIKey
ZBRQKICYIXFFCB-UHFFFAOYSA-N
Compound name
3-bromo-5-(2-methyloxetan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 128.6
[M+Na]+ 249.98380 139.5
[M-H]- 225.98730 137.4
[M+NH4]+ 245.02840 144.0
[M+K]+ 265.95774 133.7
[M+H-H2O]+ 209.99184 124.8
[M+HCOO]- 271.99278 147.7
[M+CH3COO]- 286.00843 188.3
[M+Na-2H]- 247.96925 139.5
[M]+ 226.99403 155.5
[M]- 226.99513 155.5
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

No patent data available for this compound.