CID 104568

53718-27-7

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1(CC(C2=CC(=C(C=C21)C(C)(C)C)O)(C)C)C

InChI

InChI=1S/C17H26O/c1-15(2,3)13-8-11-12(9-14(13)18)17(6,7)10-16(11,4)5/h8-9,18H,10H2,1-7H3

InChIKey

PMNVVCYFXVWMON-UHFFFAOYSA-N

Compound name

6-tert-butyl-1,1,3,3-tetramethyl-2H-inden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 246.19836 Da
Monoisotopic Mass: 5.8
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	157.1
[M+Na]+	269.18758	167.3
[M-H]-	245.19108	161.3
[M+NH4]+	264.23218	182.1
[M+K]+	285.16152	163.4
[M+H-H2O]+	229.19562	154.3
[M+HCOO]-	291.19656	175.4
[M+CH3COO]-	305.21221	196.2
[M+Na-2H]-	267.17303	161.4
[M]+	246.19781	159.3
[M]-	246.19891	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe