CID 117969166

2059973-54-3

Structural Information

Molecular Formula

C₆H₁₅N₄O

SMILES

C[N+](C)(CCN=[N+]=[N-])CCO

InChI

InChI=1S/C6H15N4O/c1-10(2,5-6-11)4-3-8-9-7/h11H,3-6H2,1-2H3/q+1

InChIKey

DEYSCWRSGBOCJH-UHFFFAOYSA-N

Compound name

2-azidoethyl-(2-hydroxyethyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12459 Da
Monoisotopic Mass: 0.5
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]+	160.131866	129.2
[M+Na]+	182.113808	134.9
[M-H]-	158.117314	132.5
[M+NH4]+	177.158413	149.7
[M+K]+	198.087748	125.7
[M+H-H2O]+	142.121850	131.1
[M+HCOO]-	204.122791	158.7
[M+CH3COO]-	218.138441	178.2
[M+Na-2H]-	180.099256	143.2
[M]+	159.12404142	126.9
[M]-	159.12513858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe