CID 94303

Mansonone e

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
InChI
InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3
InChIKey
SYWTYRLIJCHSLJ-UHFFFAOYSA-N
Compound name
4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

25
Patents

242.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 150.9
[M+Na]+ 265.08352 161.4
[M-H]- 241.08702 157.1
[M+NH4]+ 260.12812 170.4
[M+K]+ 281.05746 159.0
[M+H-H2O]+ 225.09156 144.8
[M+HCOO]- 287.09250 168.7
[M+CH3COO]- 301.10815 198.7
[M+Na-2H]- 263.06897 156.5
[M]+ 242.09375 153.8
[M]- 242.09485 153.8
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.