CID 372283

Nsc647341

Structural Information

Molecular Formula
C17H18O3
SMILES
COC1=CC2=C(C=C1)C3CCC(=O)CC3(C2=O)CC=C
InChI
InChI=1S/C17H18O3/c1-3-8-17-10-11(18)4-7-15(17)13-6-5-12(20-2)9-14(13)16(17)19/h3,5-6,9,15H,1,4,7-8,10H2,2H3
InChIKey
CXRDSDFDNUARSP-UHFFFAOYSA-N
Compound name
7-methoxy-9a-prop-2-enyl-1,3,4,4a-tetrahydrofluorene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 160.9
[M+Na]+ 293.11480 169.9
[M-H]- 269.11830 166.2
[M+NH4]+ 288.15940 183.6
[M+K]+ 309.08874 165.0
[M+H-H2O]+ 253.12284 155.5
[M+HCOO]- 315.12378 179.9
[M+CH3COO]- 329.13943 199.3
[M+Na-2H]- 291.10025 164.1
[M]+ 270.12503 161.6
[M]- 270.12613 161.6
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.