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
3
Annotation Hits

15
References

3430
Patents

244.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 156.9
[M+Na]+ 267.17193 169.6
[M+NH4]+ 262.21653 168.8
[M+K]+ 283.14587 160.6
[M-H]- 243.17543 159.4
[M+Na-2H]- 265.15738 163.6
[M]+ 244.18216 159.9
[M]- 244.18326 159.9
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