CID 3070530

Brn 5066304

Structural Information

Molecular Formula
C17H20O3
SMILES
CC1=C(C2(CCCCC2)OC1=O)C(C3=CC=CC=C3)O
InChI
InChI=1S/C17H20O3/c1-12-14(15(18)13-8-4-2-5-9-13)17(20-16(12)19)10-6-3-7-11-17/h2,4-5,8-9,15,18H,3,6-7,10-11H2,1H3
InChIKey
UPOZLTJRXGZDLP-UHFFFAOYSA-N
Compound name
4-[hydroxy(phenyl)methyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 163.8
[M+Na]+ 295.13046 175.4
[M+NH4]+ 290.17506 173.6
[M+K]+ 311.10440 169.1
[M-H]- 271.13396 169.3
[M+Na-2H]- 293.11591 170.8
[M]+ 272.14069 167.1
[M]- 272.14179 167.1
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.