CID 123132112

T-boc-n-amido-peg4-propargyl

Structural Information

Molecular Formula

C₁₆H₂₉NO₆

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCC#C

InChI

InChI=1S/C16H29NO6/c1-5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(18)23-16(2,3)4/h1H,6-14H2,2-4H3,(H,17,18)

InChIKey

AHCBQLUQQSACBL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 331.1995 Da
Monoisotopic Mass: 0.5
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]+	332.206776	174.5
[M+Na]+	354.188718	179.5
[M-H]-	330.192224	172.8
[M+NH4]+	349.233323	186.6
[M+K]+	370.162658	179.5
[M+H-H2O]+	314.196760	161.9
[M+HCOO]-	376.197701	190.0
[M+CH3COO]-	390.213351	215.7
[M+Na-2H]-	352.174166	176.4
[M]+	331.19895142	178.4
[M]-	331.20004858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe