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
3
Annotation Hits

21
References

1105
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.0
[M+Na]+ 215.067858 147.9
[M-H]- 191.071364 143.2
[M+NH4]+ 210.112463 161.1
[M+K]+ 231.041798 146.0
[M+H-H2O]+ 175.075900 133.1
[M+HCOO]- 237.076841 162.0
[M+CH3COO]- 251.092491 183.8
[M+Na-2H]- 213.053306 143.1
[M]+ 192.07809142 141.6
[M]- 192.07918858 141.6
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