CID 87038

6-acetoxy-2-naphthoic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C13H10O4/c1-8(14)17-12-5-4-9-6-11(13(15)16)3-2-10(9)7-12/h2-7H,1H3,(H,15,16)
InChIKey
NFTLBCXRDNIJMI-UHFFFAOYSA-N
Compound name
6-acetyloxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1076
Patents

230.0579 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe