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]+ 226.026546 142.7
[M+Na]+ 248.008488 155.7
[M-H]- 224.011994 148.0
[M+NH4]+ 243.053093 162.9
[M+K]+ 263.982428 153.2
[M+H-H2O]+ 208.016530 137.7
[M+HCOO]- 270.017471 162.0
[M+CH3COO]- 284.033121 186.8
[M+Na-2H]- 245.993936 149.1
[M]+ 225.01872142 151.2
[M]- 225.01981858 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.