CID 129940971

1273677-27-2

Structural Information

Molecular Formula
C13H16O2
SMILES
CCC1=C2C(=C(C=C1)OC)CCCC2=O
InChI
InChI=1S/C13H16O2/c1-3-9-7-8-12(15-2)10-5-4-6-11(14)13(9)10/h7-8H,3-6H2,1-2H3
InChIKey
JRGDWLHVQPEOBT-UHFFFAOYSA-N
Compound name
8-ethyl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 144.1
[M+Na]+ 227.10426 157.8
[M+NH4]+ 222.14886 153.6
[M+K]+ 243.07820 150.1
[M-H]- 203.10776 147.2
[M+Na-2H]- 225.08971 150.1
[M]+ 204.11449 147.0
[M]- 204.11559 147.0
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

No patent data available for this compound.