CID 53919377

42281-31-2

Structural Information

Molecular Formula
C15H18O2
SMILES
COC1=CC2=C(CCC3(C2=O)CCCC3)C=C1
InChI
InChI=1S/C15H18O2/c1-17-12-5-4-11-6-9-15(7-2-3-8-15)14(16)13(11)10-12/h4-5,10H,2-3,6-9H2,1H3
InChIKey
IJJBMVWHWLHEAF-UHFFFAOYSA-N
Compound name
7-methoxyspiro[3,4-dihydronaphthalene-2,1'-cyclopentane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 152.8
[M+Na]+ 253.119898 160.0
[M-H]- 229.123404 159.1
[M+NH4]+ 248.164503 176.0
[M+K]+ 269.093838 156.3
[M+H-H2O]+ 213.127940 146.7
[M+HCOO]- 275.128881 172.3
[M+CH3COO]- 289.144531 165.4
[M+Na-2H]- 251.105346 156.8
[M]+ 230.13013142 149.9
[M]- 230.13122858 149.9
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