CID 82613237

1509078-81-2

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C1COCC2=CC(=C(N=C21)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO3/c10-8-6(9(12)13)3-5-4-14-2-1-7(5)11-8/h3H,1-2,4H2,(H,12,13)
InChIKey
XWNVQOCGMYZCKS-UHFFFAOYSA-N
Compound name
2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01927 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 140.0
[M+Na]+ 236.00849 153.6
[M+NH4]+ 231.05309 148.3
[M+K]+ 251.98243 148.1
[M-H]- 212.01199 142.4
[M+Na-2H]- 233.99394 144.9
[M]+ 213.01872 142.8
[M]- 213.01982 142.8
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.