CID 88853548

N-boc-peg4-bromide

Structural Information

Molecular Formula

C₁₅H₃₀BrNO₆

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr

InChI

InChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)

InChIKey

KYOVSWOWVSWAII-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 399.12564 Da
Monoisotopic Mass: 1.1
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]+	400.132916	187.6
[M+Na]+	422.114858	193.5
[M-H]-	398.118364	188.8
[M+NH4]+	417.159463	202.2
[M+K]+	438.088798	184.0
[M+H-H2O]+	382.122900	185.0
[M+HCOO]-	444.123841	205.7
[M+CH3COO]-	458.139491	217.3
[M+Na-2H]-	420.100306	191.0
[M]+	399.12509142	215.3
[M]-	399.12618858	215.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe