CID 47167

Phantolide

Structural Information

Molecular Formula
C17H24O
SMILES
CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C
InChI
InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3
InChIKey
VDBHOHJWUDKDRW-UHFFFAOYSA-N
Compound name
1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

3676
Patents

244.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.189986 152.6
[M+Na]+ 267.171928 163.7
[M-H]- 243.175434 158.4
[M+NH4]+ 262.216533 178.4
[M+K]+ 283.145868 160.1
[M+H-H2O]+ 227.179970 149.4
[M+HCOO]- 289.180911 173.2
[M+CH3COO]- 303.196561 200.3
[M+Na-2H]- 265.157376 154.8
[M]+ 244.18216142 156.3
[M]- 244.18325858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe