CID 12486249

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

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(C=CC=N2)OC1
InChI
InChI=1S/C8H9NO/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5H,2-3,6H2
InChIKey
XNARZJQXBMWIQU-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrano[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

135.06842 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

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