CID 5744103

92549-64-9

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=CC2=C(C=C(C=C2C=C1)C(=O)OC)OC(=O)C
InChI
InChI=1S/C15H14O4/c1-9-4-5-11-7-12(15(17)18-3)8-14(13(11)6-9)19-10(2)16/h4-8H,1-3H3
InChIKey
PCQQKWGNHZUVMK-UHFFFAOYSA-N
Compound name
methyl 4-acetyloxy-6-methylnaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.8
[M+Na]+ 281.07842 169.2
[M+NH4]+ 276.12302 163.3
[M+K]+ 297.05236 163.4
[M-H]- 257.08192 157.5
[M+Na-2H]- 279.06387 161.2
[M]+ 258.08865 158.1
[M]- 258.08975 158.1
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.