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]+	149.104646	131.5
[M+Na]+	171.086588	137.1
[M-H]-	147.090094	129.3
[M+NH4]+	166.131193	150.9
[M+K]+	187.060528	130.8
[M+H-H2O]+	131.094630	129.6
[M+HCOO]-	193.095571	153.0
[M+CH3COO]-	207.111221	164.8
[M+Na-2H]-	169.072036	138.8
[M]+	148.09682142	129.7
[M]-	148.09791858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe