CID 112693098

875230-67-4

Structural Information

Molecular Formula

C₈H₁₉NO₄

SMILES

COCCOCCOCC(CN)O

InChI

InChI=1S/C8H19NO4/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8,10H,2-7,9H2,1H3

InChIKey

CFRPESPLEZFBKM-UHFFFAOYSA-N

Compound name

1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 193.13141 Da
Monoisotopic Mass: -1.8
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]+	194.13869	143.4
[M+Na]+	216.12063	150.1
[M+NH4]+	211.16523	148.9
[M+K]+	232.09457	146.6
[M-H]-	192.12413	141.1
[M+Na-2H]-	214.10608	144.3
[M]+	193.13086	143.1
[M]-	193.13196	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe