CID 11062917

Tert-butyl 2-[(2-hydroxyethyl)amino]acetate

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CC(C)(C)OC(=O)CNCCO

InChI

InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3

InChIKey

JXBSKIRFSUEEEK-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-hydroxyethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 175.12085 Da
Monoisotopic Mass: 0.0
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]+	176.128126	140.7
[M+Na]+	198.110068	146.4
[M-H]-	174.113574	139.6
[M+NH4]+	193.154673	160.2
[M+K]+	214.084008	146.4
[M+H-H2O]+	158.118110	136.1
[M+HCOO]-	220.119051	161.8
[M+CH3COO]-	234.134701	180.3
[M+Na-2H]-	196.095516	145.9
[M]+	175.12030142	142.4
[M]-	175.12139858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe