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]+ 228.001856 128.6
[M+Na]+ 249.983798 139.5
[M-H]- 225.987304 137.4
[M+NH4]+ 245.028403 144.0
[M+K]+ 265.957738 133.7
[M+H-H2O]+ 209.991840 124.8
[M+HCOO]- 271.992781 147.7
[M+CH3COO]- 286.008431 188.3
[M+Na-2H]- 247.969246 139.5
[M]+ 226.99403142 155.5
[M]- 226.99512858 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.