CID 77785

7-methoxy-2-tetralone

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC2=C(CCC(=O)C2)C=C1
InChI
InChI=1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChIKey
XEAPZXNZOJGVCZ-UHFFFAOYSA-N
Compound name
7-methoxy-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

828
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

patents stripe