CID 90901

23307-95-1

Structural Information

Molecular Formula

C₁₇H₃₀O₃

SMILES

CCOC(=O)C1C(O1)(C)CCCC(C)CCC=C(C)C

InChI

InChI=1S/C17H30O3/c1-6-19-16(18)15-17(5,20-15)12-8-11-14(4)10-7-9-13(2)3/h9,14-15H,6-8,10-12H2,1-5H3

InChIKey

LSVGQYICTZOJNO-UHFFFAOYSA-N

Compound name

ethyl 3-(4,8-dimethylnon-7-enyl)-3-methyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 282.21948 Da
Monoisotopic Mass: 5.0
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]+	283.226756	170.3
[M+Na]+	305.208698	176.7
[M-H]-	281.212204	174.8
[M+NH4]+	300.253303	182.7
[M+K]+	321.182638	175.7
[M+H-H2O]+	265.216740	164.8
[M+HCOO]-	327.217681	187.8
[M+CH3COO]-	341.233331	206.9
[M+Na-2H]-	303.194146	170.6
[M]+	282.21893142	179.2
[M]-	282.22002858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe