CID 13319532

93560-60-2

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
C1CCOC(C1)OC2=C(N=CC=C2)Br
InChI
InChI=1S/C10H12BrNO2/c11-10-8(4-3-6-12-10)14-9-5-1-2-7-13-9/h3-4,6,9H,1-2,5,7H2
InChIKey
NXVQJPQYTUJVQP-UHFFFAOYSA-N
Compound name
2-bromo-3-(oxan-2-yloxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 148.2
[M+Na]+ 279.99435 157.3
[M-H]- 255.99785 156.0
[M+NH4]+ 275.03895 165.9
[M+K]+ 295.96829 148.6
[M+H-H2O]+ 240.00239 147.1
[M+HCOO]- 302.00333 165.6
[M+CH3COO]- 316.01898 188.9
[M+Na-2H]- 277.97980 156.3
[M]+ 257.00458 164.9
[M]- 257.00568 164.9
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.