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

0
Patents

244.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 151.0
[M+Na]+ 267.09916 159.5
[M-H]- 243.10266 157.0
[M+NH4]+ 262.14376 169.4
[M+K]+ 283.07310 157.2
[M+H-H2O]+ 227.10720 144.0
[M+HCOO]- 289.10814 170.2
[M+CH3COO]- 303.12379 163.9
[M+Na-2H]- 265.08461 159.0
[M]+ 244.10939 152.9
[M]- 244.11049 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