CID 458195

2-(2-methoxynaphthalen-1-yl)-2-oxoacetic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
COC1=C(C2=CC=CC=C2C=C1)C(=O)C(=O)O
InChI
InChI=1S/C13H10O4/c1-17-10-7-6-8-4-2-3-5-9(8)11(10)12(14)13(15)16/h2-7H,1H3,(H,15,16)
InChIKey
NVCYSEMELQKFKQ-UHFFFAOYSA-N
Compound name
2-(2-methoxynaphthalen-1-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.065176 146.4
[M+Na]+ 253.047118 154.7
[M-H]- 229.050624 150.0
[M+NH4]+ 248.091723 164.7
[M+K]+ 269.021058 152.3
[M+H-H2O]+ 213.055160 140.4
[M+HCOO]- 275.056101 167.2
[M+CH3COO]- 289.071751 188.9
[M+Na-2H]- 251.032566 151.6
[M]+ 230.05735142 148.6
[M]- 230.05844858 148.6
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.