CID 45092310

192132-79-9

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)NCCOCCCN

InChI

InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-8-14-7-4-5-11/h4-8,11H2,1-3H3,(H,12,13)

InChIKey

HFASZFCDYSJMCC-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(3-aminopropoxy)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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]+	219.17032	153.4
[M+Na]+	241.15226	157.8
[M-H]-	217.15576	152.7
[M+NH4]+	236.19686	171.3
[M+K]+	257.12620	157.9
[M+H-H2O]+	201.16030	147.6
[M+HCOO]-	263.16124	175.7
[M+CH3COO]-	277.17689	192.7
[M+Na-2H]-	239.13771	157.2
[M]+	218.16249	155.8
[M]-	218.16359	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe