CID 108243

54464-59-4

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C

InChI

InChI=1S/C16H26O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3

InChIKey

LCZYWDBISQLZSE-UHFFFAOYSA-N

Compound name

1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 234.19836 Da
Monoisotopic Mass: 3.6
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]+	235.20564	157.5
[M+Na]+	257.18758	169.0
[M+NH4]+	252.23218	169.7
[M+K]+	273.16152	158.1
[M-H]-	233.19108	160.4
[M+Na-2H]-	255.17303	164.0
[M]+	234.19781	160.3
[M]-	234.19891	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe