CID 10987358

116047-26-8

Structural Information

Molecular Formula
C12H12O3
SMILES
COC(=O)C1=CC2=C(CCCC2=O)C=C1
InChI
InChI=1S/C12H12O3/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7H,2-4H2,1H3
InChIKey
CIZUNRVGSYFMQM-UHFFFAOYSA-N
Compound name
methyl 8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

204.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 142.4
[M+Na]+ 227.06786 155.1
[M+NH4]+ 222.11246 151.1
[M+K]+ 243.04180 148.7
[M-H]- 203.07136 144.5
[M+Na-2H]- 225.05331 147.9
[M]+ 204.07809 144.7
[M]- 204.07919 144.7
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

patents stripe