CID 701954

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

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC
InChI
InChI=1S/C15H16O3/c1-9-7-12(17-2)14-10-5-3-4-6-11(10)15(16)18-13(14)8-9/h7-8H,3-6H2,1-2H3
InChIKey
XIFWOTCGKOSXKJ-UHFFFAOYSA-N
Compound name
1-methoxy-3-methyl-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]+ 245.117216 151.0
[M+Na]+ 267.099158 160.5
[M-H]- 243.102664 157.4
[M+NH4]+ 262.143763 169.8
[M+K]+ 283.073098 158.2
[M+H-H2O]+ 227.107200 144.2
[M+HCOO]- 289.108141 170.1
[M+CH3COO]- 303.123791 195.4
[M+Na-2H]- 265.084606 158.4
[M]+ 244.10939142 153.4
[M]- 244.11048858 153.4
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.