CID 10375910

156459-20-0

Structural Information

Molecular Formula

C₉H₁₁NO₅

SMILES

COC(C1=CC=C(C(=O)N1)C(=O)O)OC

InChI

InChI=1S/C9H11NO5/c1-14-9(15-2)6-4-3-5(8(12)13)7(11)10-6/h3-4,9H,1-2H3,(H,10,11)(H,12,13)

InChIKey

CZJSQHBIIDJZBA-UHFFFAOYSA-N

Compound name

6-(dimethoxymethyl)-2-oxo-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 213.06372 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.07100	141.4
[M+Na]+	236.05294	149.5
[M-H]-	212.05644	141.5
[M+NH4]+	231.09754	157.4
[M+K]+	252.02688	148.2
[M+H-H2O]+	196.06098	135.1
[M+HCOO]-	258.06192	161.1
[M+CH3COO]-	272.07757	181.7
[M+Na-2H]-	234.03839	144.9
[M]+	213.06317	143.4
[M]-	213.06427	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe