CID 11482313

Schembl530506

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCC

InChI

InChI=1S/C12H22N2O4/c1-7-17-9(15)11(3,4)13-14-12(5,6)10(16)18-8-2/h7-8H2,1-6H3

InChIKey

XNICETZFWREDRJ-UHFFFAOYSA-N

Compound name

ethyl 2-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)diazenyl]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 622
Patents: 258.15796 Da
Monoisotopic Mass: 2.3
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]+	259.165236	159.5
[M+Na]+	281.147178	164.7
[M-H]-	257.150684	162.3
[M+NH4]+	276.191783	177.3
[M+K]+	297.121118	166.7
[M+H-H2O]+	241.155220	153.8
[M+HCOO]-	303.156161	182.9
[M+CH3COO]-	317.171811	205.9
[M+Na-2H]-	279.132626	164.7
[M]+	258.15741142	166.5
[M]-	258.15850858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe