CID 54691099

Schembl6175848

Structural Information

Molecular Formula
C18H20O3
SMILES
C=CC(C1=CC=CC=C1)C2=C(CC3(CCCC3)OC2=O)O
InChI
InChI=1S/C18H20O3/c1-2-14(13-8-4-3-5-9-13)16-15(19)12-18(21-17(16)20)10-6-7-11-18/h2-5,8-9,14,19H,1,6-7,10-12H2
InChIKey
CJXULZFXSQGWEA-UHFFFAOYSA-N
Compound name
9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

284.14124 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.2
[M+Na]+ 307.13046 172.6
[M-H]- 283.13396 174.7
[M+NH4]+ 302.17506 184.6
[M+K]+ 323.10440 169.1
[M+H-H2O]+ 267.13850 160.6
[M+HCOO]- 329.13944 184.2
[M+CH3COO]- 343.15509 196.3
[M+Na-2H]- 305.11591 168.4
[M]+ 284.14069 163.0
[M]- 284.14179 163.0
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