CID 344494

Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Structural Information

Molecular Formula
C12H12O3
SMILES
COC(=O)C1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-5,10H,6-7H2,1H3
InChIKey
YDDRYTDEKAPAHE-UHFFFAOYSA-N
Compound name
methyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

204.07864 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

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