CID 44154034

94231-53-5

Structural Information

Molecular Formula

C₁₈H₃₂O₂

SMILES

CCOC(=O)CC1C(CCC2C1(CCCC2(C)C)C)C

InChI

InChI=1S/C18H32O2/c1-6-20-16(19)12-14-13(2)8-9-15-17(3,4)10-7-11-18(14,15)5/h13-15H,6-12H2,1-5H3

InChIKey

PWHGVWUKASOUNS-UHFFFAOYSA-N

Compound name

ethyl 2-(2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.24023 Da
Monoisotopic Mass: 5.8
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]+	281.247506	169.2
[M+Na]+	303.229448	173.8
[M-H]-	279.232954	172.3
[M+NH4]+	298.274053	190.6
[M+K]+	319.203388	171.5
[M+H-H2O]+	263.237490	164.1
[M+HCOO]-	325.238431	182.8
[M+CH3COO]-	339.254081	203.8
[M+Na-2H]-	301.214896	170.1
[M]+	280.23968142	167.2
[M]-	280.24077858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.