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]+ 279.13796 164.7
[M+Na]+ 301.11990 177.7
[M-H]- 277.12340 171.1
[M+NH4]+ 296.16450 190.5
[M+K]+ 317.09384 171.3
[M+H-H2O]+ 261.12794 160.9
[M+HCOO]- 323.12888 184.3
[M+CH3COO]- 337.14453 178.5
[M+Na-2H]- 299.10535 166.7
[M]+ 278.13013 169.8
[M]- 278.13123 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.