CID 75409984

1347750-75-7

Structural Information

Molecular Formula

C₁₄H₂₇NO₇

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C14H27NO7/c1-14(2,3)22-13(18)15-5-7-20-9-11-21-10-8-19-6-4-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

PFAQEUVPPBOTTA-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 321.17874 Da
Monoisotopic Mass: 0.0
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]+	322.186016	175.6
[M+Na]+	344.167958	178.3
[M-H]-	320.171464	173.2
[M+NH4]+	339.212563	189.3
[M+K]+	360.141898	179.1
[M+H-H2O]+	304.176000	169.0
[M+HCOO]-	366.176941	198.1
[M+CH3COO]-	380.192591	206.0
[M+Na-2H]-	342.153406	177.3
[M]+	321.17819142	183.9
[M]-	321.17928858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe