CID 146598446

2434844-28-5

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₃

SMILES

CC(C)(C)OC(=O)N(C)CCCOCCCN

InChI

InChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14(4)8-6-10-16-9-5-7-13/h5-10,13H2,1-4H3

InChIKey

HFJJYXCWZMNFNS-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(3-aminopropoxy)propyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 246.19434 Da
Monoisotopic Mass: 0.7
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]+	247.20162	162.6
[M+Na]+	269.18356	166.4
[M-H]-	245.18706	163.1
[M+NH4]+	264.22816	180.1
[M+K]+	285.15750	167.4
[M+H-H2O]+	229.19160	156.4
[M+HCOO]-	291.19254	184.8
[M+CH3COO]-	305.20819	202.1
[M+Na-2H]-	267.16901	164.7
[M]+	246.19379	167.0
[M]-	246.19489	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe