CID 53462368

6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC)C
InChI
InChI=1S/C15H20O2/c1-9-7-12-8-10(2)15(16)14(12)11(3)13(9)5-6-17-4/h7,10H,5-6,8H2,1-4H3
InChIKey
YGMHYALYIOLFQS-UHFFFAOYSA-N
Compound name
6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 152.5
[M+Na]+ 255.13555 162.5
[M-H]- 231.13905 157.7
[M+NH4]+ 250.18015 174.6
[M+K]+ 271.10949 159.2
[M+H-H2O]+ 215.14359 147.6
[M+HCOO]- 277.14453 174.8
[M+CH3COO]- 291.16018 196.2
[M+Na-2H]- 253.12100 154.0
[M]+ 232.14578 156.7
[M]- 232.14688 156.7
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

No patent data available for this compound.