CID 40615

Brn 2310958

Structural Information

Molecular Formula
C30H38O3
SMILES
CCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C30H38O3/c1-5-6-7-8-9-10-11-12-13-18-26(31)33-30-25-17-15-14-16-24(25)29(32)28(30)27-22(3)19-21(2)20-23(27)4/h14-17,19-20H,5-13,18H2,1-4H3
InChIKey
XXFRLVPRIUUWHA-UHFFFAOYSA-N
Compound name
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.2821 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28938 217.7
[M+Na]+ 469.27132 223.8
[M-H]- 445.27482 224.6
[M+NH4]+ 464.31592 230.3
[M+K]+ 485.24526 217.1
[M+H-H2O]+ 429.27936 208.9
[M+HCOO]- 491.28030 236.8
[M+CH3COO]- 505.29595 238.6
[M+Na-2H]- 467.25677 212.1
[M]+ 446.28155 226.1
[M]- 446.28265 226.1
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.