CID 50256

Pda90fun2j

Structural Information

Molecular Formula
C18H26O
SMILES
C[C@@H]1[C@H](C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C
InChI
InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3/t12-,17-/m1/s1
InChIKey
IMRYETFJNLKUHK-SJKOYZFVSA-N
Compound name
1-[(2R,3R)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

3714
Patents

258.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 160.2
[M+Na]+ 281.18758 169.5
[M-H]- 257.19108 165.5
[M+NH4]+ 276.23218 183.3
[M+K]+ 297.16152 166.1
[M+H-H2O]+ 241.19562 156.2
[M+HCOO]- 303.19656 179.4
[M+CH3COO]- 317.21221 204.5
[M+Na-2H]- 279.17303 159.2
[M]+ 258.19781 163.2
[M]- 258.19891 163.2
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.