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 143.3
[M+Na]+ 227.10426 151.5
[M-H]- 203.10776 147.9
[M+NH4]+ 222.14886 164.0
[M+K]+ 243.07820 148.8
[M+H-H2O]+ 187.11230 137.5
[M+HCOO]- 249.11324 164.2
[M+CH3COO]- 263.12889 188.1
[M+Na-2H]- 225.08971 148.7
[M]+ 204.11449 143.9
[M]- 204.11559 143.9
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.