CID 5744166

93904-55-3

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1CC(=O)C=C2C1CC(CC2)C(C)(C)C

InChI

InChI=1S/C15H24O/c1-10-7-13(16)8-11-5-6-12(9-14(10)11)15(2,3)4/h8,10,12,14H,5-7,9H2,1-4H3

InChIKey

NPEWVIACCSYRRQ-UHFFFAOYSA-N

Compound name

6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 3.8
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]+	221.189986	152.5
[M+Na]+	243.171928	158.3
[M-H]-	219.175434	156.3
[M+NH4]+	238.216533	172.6
[M+K]+	259.145868	155.4
[M+H-H2O]+	203.179970	147.3
[M+HCOO]-	265.180911	168.0
[M+CH3COO]-	279.196561	192.6
[M+Na-2H]-	241.157376	155.5
[M]+	220.18216142	148.9
[M]-	220.18325858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.