CID 82660018

1512587-87-9

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=C(N=CC=C1)C(=O)CC(=O)OC
InChI
InChI=1S/C10H11NO4/c1-14-8-4-3-5-11-10(8)7(12)6-9(13)15-2/h3-5H,6H2,1-2H3
InChIKey
RTIVQGYAJDFBJU-UHFFFAOYSA-N
Compound name
methyl 3-(3-methoxy-2-pyridinyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.3
[M+Na]+ 232.058018 150.1
[M-H]- 208.061524 144.8
[M+NH4]+ 227.102623 159.7
[M+K]+ 248.031958 149.8
[M+H-H2O]+ 192.066060 135.4
[M+HCOO]- 254.067001 164.6
[M+CH3COO]- 268.082651 185.5
[M+Na-2H]- 230.043466 147.0
[M]+ 209.06825142 146.5
[M]- 209.06934858 146.5
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.