CID 72212987

115170-38-2

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

9
Patents

212.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 135.9
[M+Na]+ 235.968148 147.1
[M-H]- 211.971654 142.1
[M+NH4]+ 231.012753 156.7
[M+K]+ 251.942088 138.0
[M+H-H2O]+ 195.976190 135.9
[M+HCOO]- 257.977131 153.6
[M+CH3COO]- 271.992781 151.0
[M+Na-2H]- 233.953596 146.7
[M]+ 212.97838142 153.1
[M]- 212.97947858 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