CID 606012

4,7-dimethoxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=C2CCC(=O)C2=C(C=C1)OC
InChI
InChI=1S/C11H12O3/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6H,3-4H2,1-2H3
InChIKey
MSGQVFMAKBIPNF-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

140
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 138.0
[M+Na]+ 215.06786 147.9
[M-H]- 191.07136 143.2
[M+NH4]+ 210.11246 161.1
[M+K]+ 231.04180 146.0
[M+H-H2O]+ 175.07590 133.1
[M+HCOO]- 237.07684 162.0
[M+CH3COO]- 251.09249 183.8
[M+Na-2H]- 213.05331 143.1
[M]+ 192.07809 141.6
[M]- 192.07919 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