CID 15630036

126473-99-2

Structural Information

Molecular Formula
C8H9NO
SMILES
C1COCC2=C1C=CC=N2
InChI
InChI=1S/C8H9NO/c1-2-7-3-5-10-6-8(7)9-4-1/h1-2,4H,3,5-6H2
InChIKey
YWIHMXWDEWRBLK-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-pyrano[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

135.06842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 123.5
[M+Na]+ 158.057638 130.9
[M-H]- 134.061144 126.9
[M+NH4]+ 153.102243 143.5
[M+K]+ 174.031578 130.3
[M+H-H2O]+ 118.065680 117.0
[M+HCOO]- 180.066621 143.5
[M+CH3COO]- 194.082271 137.3
[M+Na-2H]- 156.043086 134.5
[M]+ 135.06787142 121.5
[M]- 135.06896858 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