CID 458212

1-acetoxy-5-naphthoic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
CC(=O)OC1=CC=CC2=C1C=CC=C2C(=O)O
InChI
InChI=1S/C13H10O4/c1-8(14)17-12-7-3-4-9-10(12)5-2-6-11(9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKey
WDCVVRPXMOAZLY-UHFFFAOYSA-N
Compound name
5-acetyloxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

230.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 146.6
[M+Na]+ 253.04712 155.0
[M-H]- 229.05062 150.3
[M+NH4]+ 248.09172 165.0
[M+K]+ 269.02106 152.6
[M+H-H2O]+ 213.05516 140.6
[M+HCOO]- 275.05610 167.5
[M+CH3COO]- 289.07175 188.2
[M+Na-2H]- 251.03257 151.8
[M]+ 230.05735 148.7
[M]- 230.05845 148.7
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.