CID 10220788

78448-49-4

Structural Information

Molecular Formula

C₁₈H₂₆O

SMILES

CCC1(CC(C2=C1C=C3COCC(C3=C2)C)(C)C)C

InChI

InChI=1S/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3

InChIKey

BYAUGQHXQRQQPB-UHFFFAOYSA-N

Compound name

8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 258.19836 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.205636	160.9
[M+Na]+	281.187578	170.1
[M-H]-	257.191084	167.1
[M+NH4]+	276.232183	185.3
[M+K]+	297.161518	166.7
[M+H-H2O]+	241.195620	155.9
[M+HCOO]-	303.196561	177.8
[M+CH3COO]-	317.212211	173.7
[M+Na-2H]-	279.173026	165.1
[M]+	258.19781142	162.0
[M]-	258.19890858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe