CID 20382918

72927-83-4

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C(C)(C)O)(C)C

InChI

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

InChIKey

MIKVEOSHCZRIAT-UHFFFAOYSA-N

Compound name

2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 246.19836 Da
Monoisotopic Mass: 4.5
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	156.9
[M+Na]+	269.18758	167.0
[M-H]-	245.19108	161.1
[M+NH4]+	264.23218	181.9
[M+K]+	285.16152	163.1
[M+H-H2O]+	229.19562	154.1
[M+HCOO]-	291.19656	175.1
[M+CH3COO]-	305.21221	196.9
[M+Na-2H]-	267.17303	161.2
[M]+	246.19781	159.2
[M]-	246.19891	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe