CID 4193974

5,8-dimethyl-3a,4,9,9a-tetrahydro-4,9-ethenonaphtho[2,3-c]furan-1,3-dione

Structural Information

Molecular Formula
C16H14O3
SMILES
CC1=C2C3C=CC(C2=C(C=C1)C)C4C3C(=O)OC4=O
InChI
InChI=1S/C16H14O3/c1-7-3-4-8(2)12-10-6-5-9(11(7)12)13-14(10)16(18)19-15(13)17/h3-6,9-10,13-14H,1-2H3
InChIKey
RGVJSMKRCNBIRS-UHFFFAOYSA-N
Compound name
3,6-dimethyl-11-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 151.7
[M+Na]+ 277.08352 160.2
[M-H]- 253.08702 155.9
[M+NH4]+ 272.12812 174.7
[M+K]+ 293.05746 157.1
[M+H-H2O]+ 237.09156 146.2
[M+HCOO]- 299.09250 165.0
[M+CH3COO]- 313.10815 164.1
[M+Na-2H]- 275.06897 158.2
[M]+ 254.09375 156.6
[M]- 254.09485 156.6
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.