CID 2789355

6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(=O)C
InChI
InChI=1S/C15H14O4/c1-8-13(18-9(2)16)7-6-11-10-4-3-5-12(10)15(17)19-14(8)11/h6-7H,3-5H2,1-2H3
InChIKey
MBMWUMLOUGHXEY-UHFFFAOYSA-N
Compound name
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.0
[M+Na]+ 281.07842 164.3
[M-H]- 257.08192 161.0
[M+NH4]+ 276.12302 174.1
[M+K]+ 297.05236 162.4
[M+H-H2O]+ 241.08646 148.6
[M+HCOO]- 303.08740 174.8
[M+CH3COO]- 317.10305 196.5
[M+Na-2H]- 279.06387 158.7
[M]+ 258.08865 158.7
[M]- 258.08975 158.7
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.