CID 680696

1,3-dimethoxy-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC
InChI
InChI=1S/C15H16O4/c1-17-9-7-12(18-2)14-10-5-3-4-6-11(10)15(16)19-13(14)8-9/h7-8H,3-6H2,1-2H3
InChIKey
JFZQPCXOYOHJNH-UHFFFAOYSA-N
Compound name
1,3-dimethoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 154.0
[M+Na]+ 283.09408 163.3
[M-H]- 259.09758 160.4
[M+NH4]+ 278.13868 172.0
[M+K]+ 299.06802 161.7
[M+H-H2O]+ 243.10212 147.0
[M+HCOO]- 305.10306 173.3
[M+CH3COO]- 319.11871 197.6
[M+Na-2H]- 281.07953 161.5
[M]+ 260.10431 157.9
[M]- 260.10541 157.9
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

No patent data available for this compound.