CID 129957824

1211579-84-8

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
CCOC(=O)C1=C(N=C2CCOCC2=C1)Cl
InChI
InChI=1S/C11H12ClNO3/c1-2-16-11(14)8-5-7-6-15-4-3-9(7)13-10(8)12/h5H,2-4,6H2,1H3
InChIKey
ZATBMPKMZOGUED-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05057 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 148.9
[M+Na]+ 264.03979 157.5
[M-H]- 240.04329 152.5
[M+NH4]+ 259.08439 165.9
[M+K]+ 280.01373 155.4
[M+H-H2O]+ 224.04783 142.7
[M+HCOO]- 286.04877 162.9
[M+CH3COO]- 300.06442 189.7
[M+Na-2H]- 262.02524 155.2
[M]+ 241.05002 152.3
[M]- 241.05112 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

No patent data available for this compound.