CID 165941807

Methyl 6-chloro-2-methylfuro[2,3-b]pyridine-3-carboxylate

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
CC1=C(C2=C(O1)N=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C10H8ClNO3/c1-5-8(10(13)14-2)6-3-4-7(11)12-9(6)15-5/h3-4H,1-2H3
InChIKey
OKOPCDAJTHJFLU-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-methylfuro[2,3-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02655 142.7
[M+Na]+ 248.00849 155.7
[M-H]- 224.01199 148.0
[M+NH4]+ 243.05309 162.9
[M+K]+ 263.98243 153.2
[M+H-H2O]+ 208.01653 137.7
[M+HCOO]- 270.01747 162.0
[M+CH3COO]- 284.03312 186.8
[M+Na-2H]- 245.99394 149.1
[M]+ 225.01872 151.2
[M]- 225.01982 151.2
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.