CID 12106198

127828-22-2

Structural Information

Molecular Formula

C₉H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NCCOCCN

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)

InChIKey

VULKFBHOEKTQSF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 988
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]+	205.15468	148.9
[M+Na]+	227.13662	153.7
[M-H]-	203.14012	148.3
[M+NH4]+	222.18122	167.3
[M+K]+	243.11056	154.0
[M+H-H2O]+	187.14466	143.2
[M+HCOO]-	249.14560	171.5
[M+CH3COO]-	263.16125	189.6
[M+Na-2H]-	225.12207	153.2
[M]+	204.14685	150.8
[M]-	204.14795	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe