CID 4136021

8-methoxy-2-tetralone

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC=CC2=C1CC(=O)CC2
InChI
InChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3
InChIKey
BTYBORAHYUCUMH-UHFFFAOYSA-N
Compound name
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

176.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.5
[M+Na]+ 199.07294 149.2
[M+NH4]+ 194.11754 145.3
[M+K]+ 215.04688 141.8
[M-H]- 175.07644 138.6
[M+Na-2H]- 197.05839 142.2
[M]+ 176.08317 138.3
[M]- 176.08427 138.3
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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