CID 2055068

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

Structural Information

Molecular Formula
C15H16O3
SMILES
CCOC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI
InChI=1S/C15H16O3/c1-2-17-10-7-8-12-11-5-3-4-6-13(11)15(16)18-14(12)9-10/h7-9H,2-6H2,1H3
InChIKey
NCCIWUHWXXTEKH-UHFFFAOYSA-N
Compound name
3-ethoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 151.0
[M+Na]+ 267.099158 159.5
[M-H]- 243.102664 157.0
[M+NH4]+ 262.143763 169.4
[M+K]+ 283.073098 157.2
[M+H-H2O]+ 227.107200 144.0
[M+HCOO]- 289.108141 170.2
[M+CH3COO]- 303.123791 163.9
[M+Na-2H]- 265.084606 159.0
[M]+ 244.10939142 152.9
[M]- 244.11048858 152.9
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

patents stripe