CID 15081626

Ethylsuberenol

Structural Information

Molecular Formula
C17H20O4
SMILES
CCOC(C)(C)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C17H20O4/c1-5-20-17(2,3)9-8-13-10-12-6-7-16(18)21-15(12)11-14(13)19-4/h6-11H,5H2,1-4H3/b9-8+
InChIKey
BAIKIOHEOXKBCN-CMDGGOBGSA-N
Compound name
6-[(E)-3-ethoxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 165.3
[M+Na]+ 311.12539 179.0
[M+NH4]+ 306.16999 172.4
[M+K]+ 327.09933 172.6
[M-H]- 287.12889 168.0
[M+Na-2H]- 309.11084 170.4
[M]+ 288.13562 168.1
[M]- 288.13672 168.1
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.