CID 393209

146885-82-7

Structural Information

Molecular Formula
C19H18O2
SMILES
CC1C(=O)C(=C2C1(C3=C(C=CC4=C3C2=C(C=C4)C)C)O)C
InChI
InChI=1S/C19H18O2/c1-9-5-7-13-8-6-10(2)16-15(13)14(9)17-11(3)18(20)12(4)19(16,17)21/h5-8,12,21H,1-4H3
InChIKey
BBRNUTRKWSLVBB-UHFFFAOYSA-N
Compound name
9a-hydroxy-1,6,7,9-tetramethyl-9H-cyclopenta[a]acenaphthylen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.137956 164.7
[M+Na]+ 301.119898 177.7
[M-H]- 277.123404 171.1
[M+NH4]+ 296.164503 190.5
[M+K]+ 317.093838 171.3
[M+H-H2O]+ 261.127940 160.9
[M+HCOO]- 323.128881 184.3
[M+CH3COO]- 337.144531 178.5
[M+Na-2H]- 299.105346 166.7
[M]+ 278.13013142 169.8
[M]- 278.13122858 169.8
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.