CID 77078283

1404111-67-6

Structural Information

Molecular Formula

C₁₅H₃₁NO₇

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCO

InChI

InChI=1S/C15H31NO7/c1-15(2,3)23-14(18)16-4-6-19-8-10-21-12-13-22-11-9-20-7-5-17/h17H,4-13H2,1-3H3,(H,16,18)

InChIKey

PBWLVPPLXJCLBC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 337.21005 Da
Monoisotopic Mass: -0.3
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]+	338.217326	181.1
[M+Na]+	360.199268	183.3
[M-H]-	336.202774	178.4
[M+NH4]+	355.243873	194.3
[M+K]+	376.173208	183.9
[M+H-H2O]+	320.207310	174.1
[M+HCOO]-	382.208251	206.3
[M+CH3COO]-	396.223901	209.0
[M+Na-2H]-	358.184716	183.5
[M]+	337.20950142	191.1
[M]-	337.21059858	191.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe