CID 2733287

136849-72-4

Structural Information

Molecular Formula

C₁₀H₁₇N₄O₃

SMILES

CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N

InChI

InChI=1S/C10H17N4O3/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5/h6H2,1-5H3/q+1

InChIKey

WWGJEDDFWJBVPW-UHFFFAOYSA-N

Compound name

[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4434
Patents: 241.13007 Da
Monoisotopic Mass: 1.0
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]+	242.137346	157.1
[M+Na]+	264.119288	162.7
[M-H]-	240.122794	161.1
[M+NH4]+	259.163893	173.1
[M+K]+	280.093228	161.1
[M+H-H2O]+	224.127330	145.9
[M+HCOO]-	286.128271	179.0
[M+CH3COO]-	300.143921	210.1
[M+Na-2H]-	262.104736	159.9
[M]+	241.12952142	154.5
[M]-	241.13061858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe