CID 11095155

3,4-dihydromethoxynaphthalen-1-one

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H12O2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-5,10H,6-7H2,1H3
InChIKey
ZUKTUEOOOXEFML-UHFFFAOYSA-N
Compound name
2-methoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 134.4
[M+Na]+ 199.072938 142.4
[M-H]- 175.076444 139.0
[M+NH4]+ 194.117543 155.9
[M+K]+ 215.046878 140.2
[M+H-H2O]+ 159.080980 128.7
[M+HCOO]- 221.081921 156.0
[M+CH3COO]- 235.097571 180.9
[M+Na-2H]- 197.058386 141.6
[M]+ 176.08317142 133.9
[M]- 176.08426858 133.9
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