CID 82613238

1521702-51-1

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C1COCC2=NC(=C(C=C21)C(=O)O)Cl
InChI
InChI=1S/C9H8ClNO3/c10-8-6(9(12)13)3-5-1-2-14-4-7(5)11-8/h3H,1-2,4H2,(H,12,13)
InChIKey
NINIBYOCPHMCDT-UHFFFAOYSA-N
Compound name
2-chloro-6,8-dihydro-5H-pyrano[3,4-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 139.6
[M+Na]+ 236.00849 148.6
[M-H]- 212.01199 142.1
[M+NH4]+ 231.05309 157.0
[M+K]+ 251.98243 146.0
[M+H-H2O]+ 196.01653 134.1
[M+HCOO]- 258.01747 152.8
[M+CH3COO]- 272.03312 181.9
[M+Na-2H]- 233.99394 146.5
[M]+ 213.01872 140.6
[M]- 213.01982 140.6
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.