CID 3022777

6-cyclopentyl-1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula

C₁₈H₂₆O

SMILES

CC1(CC(C2=C1C=C(C(=C2)O)C3CCCC3)(C)C)C

InChI

InChI=1S/C18H26O/c1-17(2)11-18(3,4)15-10-16(19)13(9-14(15)17)12-7-5-6-8-12/h9-10,12,19H,5-8,11H2,1-4H3

InChIKey

IAXRJXQHJSFPBF-UHFFFAOYSA-N

Compound name

6-cyclopentyl-1,1,3,3-tetramethyl-2H-inden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.19836 Da
Monoisotopic Mass: 6.1
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	162.5
[M+Na]+	281.187578	171.0
[M-H]-	257.191084	169.3
[M+NH4]+	276.232183	188.0
[M+K]+	297.161518	165.9
[M+H-H2O]+	241.195620	158.2
[M+HCOO]-	303.196561	181.4
[M+CH3COO]-	317.212211	175.1
[M+Na-2H]-	279.173026	162.6
[M]+	258.19781142	160.9
[M]-	258.19890858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe