CID 2888538

3-methyl-1-(1-methyl-2-oxopropoxy)-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)C
InChI
InChI=1S/C18H20O4/c1-10-8-15(21-12(3)11(2)19)17-13-6-4-5-7-14(13)18(20)22-16(17)9-10/h8-9,12H,4-7H2,1-3H3
InChIKey
ZKLSRNMXTOGASS-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-oxobutan-2-yloxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 166.9
[M+Na]+ 323.12539 174.4
[M-H]- 299.12889 172.7
[M+NH4]+ 318.16999 182.9
[M+K]+ 339.09933 172.6
[M+H-H2O]+ 283.13343 159.7
[M+HCOO]- 345.13437 183.2
[M+CH3COO]- 359.15002 207.7
[M+Na-2H]- 321.11084 170.4
[M]+ 300.13562 169.7
[M]- 300.13672 169.7
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.