CID 73557236

Ethanone, 1-(2,3-dihydrotrimethyl-1h-indenyl)-

Structural Information

Molecular Formula
C14H18O
SMILES
CC1=CC(=C2CCC(C2=C1)(C)C)C(=O)C
InChI
InChI=1S/C14H18O/c1-9-7-12(10(2)15)11-5-6-14(3,4)13(11)8-9/h7-8H,5-6H2,1-4H3
InChIKey
KQGOYVKJNFXSFN-UHFFFAOYSA-N
Compound name
1-(1,1,6-trimethyl-2,3-dihydroinden-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
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]+ 203.143046 144.9
[M+Na]+ 225.124988 154.3
[M-H]- 201.128494 150.1
[M+NH4]+ 220.169593 169.7
[M+K]+ 241.098928 151.2
[M+H-H2O]+ 185.133030 140.6
[M+HCOO]- 247.133971 166.4
[M+CH3COO]- 261.149621 189.1
[M+Na-2H]- 223.110436 148.1
[M]+ 202.13522142 146.2
[M]- 202.13631858 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.