CID 73212506

Chembl3105397

Structural Information

Molecular Formula
C17H18O2
SMILES
CC1=CC2=C(C=C1O)C3=C(C=C2)C(C(=O)CC3)(C)C
InChI
InChI=1S/C17H18O2/c1-10-8-11-4-6-14-12(13(11)9-15(10)18)5-7-16(19)17(14,2)3/h4,6,8-9,18H,5,7H2,1-3H3
InChIKey
AFACAVFCDGVGIB-UHFFFAOYSA-N
Compound name
6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 156.8
[M+Na]+ 277.11990 166.9
[M-H]- 253.12340 161.6
[M+NH4]+ 272.16450 178.2
[M+K]+ 293.09384 162.0
[M+H-H2O]+ 237.12794 150.9
[M+HCOO]- 299.12888 174.4
[M+CH3COO]- 313.14453 197.4
[M+Na-2H]- 275.10535 162.3
[M]+ 254.13013 156.7
[M]- 254.13123 156.7
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.