CID 84656

Einecs 238-875-8

Structural Information

Molecular Formula

C₈H₁₇NO₄

SMILES

CC(=O)OCCN(CCO)CCO

InChI

InChI=1S/C8H17NO4/c1-8(12)13-7-4-9(2-5-10)3-6-11/h10-11H,2-7H2,1H3

InChIKey

COYBSBIBDYUILE-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 133
Patents: 191.11575 Da
Monoisotopic Mass: -1.2
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]+	192.123026	143.7
[M+Na]+	214.104968	148.5
[M-H]-	190.108474	142.2
[M+NH4]+	209.149573	162.1
[M+K]+	230.078908	149.0
[M+H-H2O]+	174.113010	138.0
[M+HCOO]-	236.113951	165.5
[M+CH3COO]-	250.129601	183.6
[M+Na-2H]-	212.090416	146.8
[M]+	191.11520142	146.7
[M]-	191.11629858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe