CID 72212987

6-bromo-2h,3h,4h-pyrano[2,3-b]pyridine

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC2=C(N=CC(=C2)Br)OC1
InChI
InChI=1S/C8H8BrNO/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3H2
InChIKey
BVWBZYWPHNVCED-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 135.9
[M+Na]+ 235.96815 147.1
[M-H]- 211.97165 142.1
[M+NH4]+ 231.01275 156.7
[M+K]+ 251.94209 138.0
[M+H-H2O]+ 195.97619 135.9
[M+HCOO]- 257.97713 153.6
[M+CH3COO]- 271.99278 151.0
[M+Na-2H]- 233.95360 146.7
[M]+ 212.97838 153.1
[M]- 212.97948 153.1
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