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]+ 233.153606 152.5
[M+Na]+ 255.135548 162.5
[M-H]- 231.139054 157.7
[M+NH4]+ 250.180153 174.6
[M+K]+ 271.109488 159.2
[M+H-H2O]+ 215.143590 147.6
[M+HCOO]- 277.144531 174.8
[M+CH3COO]- 291.160181 196.2
[M+Na-2H]- 253.120996 154.0
[M]+ 232.14578142 156.7
[M]- 232.14687858 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.