CID 75018

5,6-dimethoxy-1-indanone

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=C(C=C2C(=C1)CCC2=O)OC
InChI
InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
InChIKey
IHMQOBPGHZFGLC-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

1012
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.0
[M+Na]+ 215.06786 151.4
[M+NH4]+ 210.11246 147.9
[M+K]+ 231.04180 146.9
[M-H]- 191.07136 140.8
[M+Na-2H]- 213.05331 143.9
[M]+ 192.07809 141.2
[M]- 192.07919 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe