CID 59224684

1052648-05-1

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)NCCCNCCO

InChI

InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-7-8-13/h11,13H,4-8H2,1-3H3,(H,12,14)

InChIKey

SMTBJXYPIMMLPA-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 218.16304 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]+	219.170316	153.5
[M+Na]+	241.152258	157.5
[M-H]-	217.155764	151.9
[M+NH4]+	236.196863	170.9
[M+K]+	257.126198	157.0
[M+H-H2O]+	201.160300	147.9
[M+HCOO]-	263.161241	174.9
[M+CH3COO]-	277.176891	190.8
[M+Na-2H]-	239.137706	157.9
[M]+	218.16249142	154.9
[M]-	218.16358858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe