CID 170841281

Dtxsid301372556

Structural Information

Molecular Formula
C14H18O
SMILES
CC1=CC(=CC2=C1CCC2(C)C)C(=O)C
InChI
InChI=1S/C14H18O/c1-9-7-11(10(2)15)8-13-12(9)5-6-14(13,3)4/h7-8H,5-6H2,1-4H3
InChIKey
BLDNGVOYBXKCFO-UHFFFAOYSA-N
Compound name
1-(3,3,7-trimethyl-1,2-dihydroinden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 144.9
[M+Na]+ 225.12499 154.3
[M-H]- 201.12849 150.1
[M+NH4]+ 220.16959 169.7
[M+K]+ 241.09893 151.2
[M+H-H2O]+ 185.13303 140.6
[M+HCOO]- 247.13397 166.4
[M+CH3COO]- 261.14962 189.1
[M+Na-2H]- 223.11044 148.1
[M]+ 202.13522 146.2
[M]- 202.13632 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.