CID 90248

23757-24-6

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC(C)C1=C(C(=C2C(=C1)CCC2(C)C)C(C)C)O

InChI

InChI=1S/C17H26O/c1-10(2)13-9-12-7-8-17(5,6)15(12)14(11(3)4)16(13)18/h9-11,18H,7-8H2,1-6H3

InChIKey

UYWDZENSLVNYKE-UHFFFAOYSA-N

Compound name

3,3-dimethyl-4,6-di(propan-2-yl)-1,2-dihydroinden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 246.19836 Da
Monoisotopic Mass: 5.5
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]+	247.20564	159.8
[M+Na]+	269.18758	167.8
[M-H]-	245.19108	163.4
[M+NH4]+	264.23218	182.4
[M+K]+	285.16152	164.3
[M+H-H2O]+	229.19562	155.8
[M+HCOO]-	291.19656	177.5
[M+CH3COO]-	305.21221	198.5
[M+Na-2H]-	267.17303	159.2
[M]+	246.19781	160.8
[M]-	246.19891	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe