CID 44145089

Unii-4rlf26j3mb

Structural Information

Molecular Formula

C₆H₁₄NO₃

SMILES

C(CO)[N+](=CCO)CCO

InChI

InChI=1S/C6H14NO3/c8-4-1-7(2-5-9)3-6-10/h1,8-10H,2-6H2/q+1

InChIKey

JGMFLDACMILJBY-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl)-(2-hydroxyethylidene)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.09737 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]+	149.10465	131.5
[M+Na]+	171.08659	137.1
[M-H]-	147.09009	129.3
[M+NH4]+	166.13119	150.9
[M+K]+	187.06053	130.8
[M+H-H2O]+	131.09463	129.6
[M+HCOO]-	193.09557	153.0
[M+CH3COO]-	207.11122	164.8
[M+Na-2H]-	169.07204	138.8
[M]+	148.09682	129.7
[M]-	148.09792	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe