CID 11688612

Boc-nh-peg4-amine

Structural Information

Molecular Formula

C₁₅H₃₂N₂O₆

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN

InChI

InChI=1S/C15H32N2O6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13,16H2,1-3H3,(H,17,18)

InChIKey

WCNWLERBLMBSOT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 336.22604 Da
Monoisotopic Mass: -0.6
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]+	337.233316	181.7
[M+Na]+	359.215258	183.5
[M-H]-	335.218764	179.8
[M+NH4]+	354.259863	194.5
[M+K]+	375.189198	184.2
[M+H-H2O]+	319.223300	174.1
[M+HCOO]-	381.224241	203.0
[M+CH3COO]-	395.239891	214.0
[M+Na-2H]-	357.200706	183.7
[M]+	336.22549142	190.2
[M]-	336.22658858	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe