CID 21116690

[(8s)-5,5,8-trimethyl-2,3,4,4a,6,7,8,8a-octahydro-1h-naphthalen-2-yl] acetate

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C[C@H]1CCC(C2C1CC(CC2)OC(=O)C)(C)C

InChI

InChI=1S/C15H26O2/c1-10-7-8-15(3,4)14-6-5-12(9-13(10)14)17-11(2)16/h10,12-14H,5-9H2,1-4H3/t10-,12?,13?,14?/m0/s1

InChIKey

TZLJYASPCSHXJT-ZPQSCOJMSA-N

Compound name

[(8S)-5,5,8-trimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 4.4
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]+	239.200556	157.3
[M+Na]+	261.182498	162.2
[M-H]-	237.186004	160.7
[M+NH4]+	256.227103	178.3
[M+K]+	277.156438	160.3
[M+H-H2O]+	221.190540	152.0
[M+HCOO]-	283.191481	171.9
[M+CH3COO]-	297.207131	195.1
[M+Na-2H]-	259.167946	158.4
[M]+	238.19273142	153.7
[M]-	238.19382858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.