CID 13234777

83846-52-0

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

CC(=O)C1CCC2(C1(CCC3C2CC3(C)C)C)C

InChI

InChI=1S/C17H28O/c1-11(18)12-6-8-17(5)14-10-15(2,3)13(14)7-9-16(12,17)4/h12-14H,6-10H2,1-5H3

InChIKey

VKULDVJHYSRIAM-UHFFFAOYSA-N

Compound name

1-(2,2,4a,7a-tetramethyl-1,2a,3,4,5,6,7,7b-octahydrocyclobuta[e]inden-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.21402 Da
Monoisotopic Mass: 4.8
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]+	249.221296	162.9
[M+Na]+	271.203238	169.3
[M-H]-	247.206744	168.0
[M+NH4]+	266.247843	183.8
[M+K]+	287.177178	168.0
[M+H-H2O]+	231.211280	156.0
[M+HCOO]-	293.212221	176.8
[M+CH3COO]-	307.227871	201.5
[M+Na-2H]-	269.188686	164.5
[M]+	248.21347142	169.9
[M]-	248.21456858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe