CID 13545750

3,4-dihydro-2h-pyrano[2,3-b]pyridine

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(N=CC=C2)OC1
InChI
InChI=1S/C8H9NO/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,5H,2,4,6H2
InChIKey
VXFMNHKLXSDLKL-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

135.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 123.5
[M+Na]+ 158.05764 130.9
[M-H]- 134.06114 126.9
[M+NH4]+ 153.10224 143.5
[M+K]+ 174.03158 130.3
[M+H-H2O]+ 118.06568 117.0
[M+HCOO]- 180.06662 143.5
[M+CH3COO]- 194.08227 137.3
[M+Na-2H]- 156.04309 134.5
[M]+ 135.06787 121.5
[M]- 135.06897 121.5
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

patents stripe