CID 10330854

62855-40-7

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

COC(=O)C1=CC=C(C2=CC=CC=C21)C=O

InChI

InChI=1S/C13H10O3/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-8H,1H3

InChIKey

RQODTKJVTXOAHI-UHFFFAOYSA-N

Compound name

methyl 4-formylnaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 214.06299 Da
Monoisotopic Mass: 2.5
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]+	215.070266	143.1
[M+Na]+	237.052208	152.3
[M-H]-	213.055714	148.1
[M+NH4]+	232.096813	163.0
[M+K]+	253.026148	149.7
[M+H-H2O]+	197.060250	136.9
[M+HCOO]-	259.061191	166.3
[M+CH3COO]-	273.076841	187.7
[M+Na-2H]-	235.037656	149.9
[M]+	214.06244142	146.2
[M]-	214.06353858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe