CID 14077805

Dihydrosuberenol

Structural Information

Molecular Formula
C15H18O4
SMILES
CC(C)(CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O
InChI
InChI=1S/C15H18O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-5,8-9,17H,6-7H2,1-3H3
InChIKey
YCIWLTLAWPAWSP-UHFFFAOYSA-N
Compound name
6-(3-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 157.9
[M+Na]+ 285.10972 167.0
[M-H]- 261.11322 162.4
[M+NH4]+ 280.15432 174.4
[M+K]+ 301.08366 165.3
[M+H-H2O]+ 245.11776 151.9
[M+HCOO]- 307.11870 177.3
[M+CH3COO]- 321.13435 195.7
[M+Na-2H]- 283.09517 165.4
[M]+ 262.11995 163.3
[M]- 262.12105 163.3
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

No patent data available for this compound.