CID 130115651

1823329-32-3

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
COC(=O)C1=CC(=NC2=C1COCC2)Cl
InChI
InChI=1S/C10H10ClNO3/c1-14-10(13)6-4-9(11)12-8-2-3-15-5-7(6)8/h4H,2-3,5H2,1H3
InChIKey
XREQPJZNGUVTSO-UHFFFAOYSA-N
Compound name
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 144.1
[M+Na]+ 250.02415 158.1
[M+NH4]+ 245.06875 152.6
[M+K]+ 265.99809 152.0
[M-H]- 226.02765 147.0
[M+Na-2H]- 248.00960 149.3
[M]+ 227.03438 147.2
[M]- 227.03548 147.2
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.