CID 82397541

3-bromo-5,7-dihydrofuro[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1C2=C(CO1)N=CC(=C2)Br
InChI
InChI=1S/C7H6BrNO/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2
InChIKey
XOVAGIOSWDHHFA-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dihydrofuro[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

198.96329 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 133.4
[M+Na]+ 221.95251 146.2
[M-H]- 197.95601 140.2
[M+NH4]+ 216.99711 156.7
[M+K]+ 237.92645 137.4
[M+H-H2O]+ 181.96055 134.1
[M+HCOO]- 243.96149 153.6
[M+CH3COO]- 257.97714 149.7
[M+Na-2H]- 219.93796 143.1
[M]+ 198.96274 152.3
[M]- 198.96384 152.3
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