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]+ 273.148516 163.6
[M+Na]+ 295.130458 169.2
[M-H]- 271.133964 171.4
[M+NH4]+ 290.175063 181.6
[M+K]+ 311.104398 166.5
[M+H-H2O]+ 255.138500 157.2
[M+HCOO]- 317.139441 180.8
[M+CH3COO]- 331.155091 194.0
[M+Na-2H]- 293.115906 165.4
[M]+ 272.14069142 159.8
[M]- 272.14178858 159.8
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.