CID 5463809

92836-10-7

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=CC2=C(C=C1C(=O)C)C(CC2(C)C(C)C)(C)C
InChI
InChI=1S/C18H26O/c1-11(2)18(7)10-17(5,6)15-9-14(13(4)19)12(3)8-16(15)18/h8-9,11H,10H2,1-7H3
InChIKey
HADLISHZBKJUMM-UHFFFAOYSA-N
Compound name
1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

258.19836 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 159.0
[M+Na]+ 281.187578 168.4
[M-H]- 257.191084 164.3
[M+NH4]+ 276.232183 183.8
[M+K]+ 297.161518 165.0
[M+H-H2O]+ 241.195620 155.4
[M+HCOO]- 303.196561 178.2
[M+CH3COO]- 317.212211 202.9
[M+Na-2H]- 279.173026 159.9
[M]+ 258.19781142 161.9
[M]- 258.19890858 161.9
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

patents stripe