CID 93841

57908-48-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CCC(C)(N=NC(C)(CC)OC(=O)C)OC(=O)C

InChI

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

InChIKey

ATFXTFMLMZLRII-UHFFFAOYSA-N

Compound name

2-(2-acetyloxybutan-2-yldiazenyl)butan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 258.15796 Da
Monoisotopic Mass: 2.5
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