CID 14105916

Italicene ether

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C13CCC(=CC3OC2(C)C)C
InChI
InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3
InChIKey
JGKMDLIITSKWAD-UHFFFAOYSA-N
Compound name
1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.6
[M+Na]+ 243.171928 159.6
[M-H]- 219.175434 158.1
[M+NH4]+ 238.216533 178.5
[M+K]+ 259.145868 157.1
[M+H-H2O]+ 203.179970 147.8
[M+HCOO]- 265.180911 169.1
[M+CH3COO]- 279.196561 164.9
[M+Na-2H]- 241.157376 154.1
[M]+ 220.18216142 150.5
[M]- 220.18325858 150.5
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