CID 5348533

2-ethyl-3-hydroxy-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C15H16O3
SMILES
CCC1=CC2=C(C=C1O)OC(=O)C3=C2CCCC3
InChI
InChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3
InChIKey
ULRCJDZFIIRZIM-UHFFFAOYSA-N
Compound name
2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

244.10994 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 151.4
[M+Na]+ 267.099158 160.5
[M-H]- 243.102664 156.5
[M+NH4]+ 262.143763 169.5
[M+K]+ 283.073098 157.4
[M+H-H2O]+ 227.107200 145.0
[M+HCOO]- 289.108141 169.1
[M+CH3COO]- 303.123791 164.0
[M+Na-2H]- 265.084606 158.4
[M]+ 244.10939142 152.0
[M]- 244.11048858 152.0
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

patents stripe