CID 61056703

1-(1,3-dioxaindan-5-yl)-2-(4-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=C(C=C1)CC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H14O4/c1-18-13-5-2-11(3-6-13)8-14(17)12-4-7-15-16(9-12)20-10-19-15/h2-7,9H,8,10H2,1H3
InChIKey
GUOGPUXNMRBFJU-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.2
[M+Na]+ 293.078418 167.2
[M-H]- 269.081924 168.4
[M+NH4]+ 288.123023 175.5
[M+K]+ 309.052358 166.6
[M+H-H2O]+ 253.086460 152.7
[M+HCOO]- 315.087401 180.3
[M+CH3COO]- 329.103051 196.7
[M+Na-2H]- 291.063866 164.6
[M]+ 270.08865142 163.6
[M]- 270.08974858 163.6
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