CID 10932586

Tert-butyl n-{2-[(2-hydroxyethyl)amino]ethyl}carbamate

Structural Information

Molecular Formula

C₉H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NCCNCCO

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)

InChIKey

CEBBCRUTQUIXBU-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-hydroxyethylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 204.1474 Da
Monoisotopic Mass: -0.2
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]+	205.154676	149.0
[M+Na]+	227.136618	153.4
[M-H]-	203.140124	147.6
[M+NH4]+	222.181223	167.0
[M+K]+	243.110558	153.1
[M+H-H2O]+	187.144660	143.6
[M+HCOO]-	249.145601	170.7
[M+CH3COO]-	263.161251	187.7
[M+Na-2H]-	225.122066	153.9
[M]+	204.14685142	150.0
[M]-	204.14794858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe