CID 23591749

13,13-dimethyl-11-oxo-4,7,12-trioxa-10-azatetradecanoic acid

Structural Information

Molecular Formula

C₁₂H₂₃NO₆

SMILES

CC(C)(C)OC(=O)NCCOCCOCCC(=O)O

InChI

InChI=1S/C12H23NO6/c1-12(2,3)19-11(16)13-5-7-18-9-8-17-6-4-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

OZMXZVCAXAQCHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 277.15253 Da
Monoisotopic Mass: 0.1
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]+	278.159806	164.8
[M+Na]+	300.141748	168.5
[M-H]-	276.145254	162.8
[M+NH4]+	295.186353	179.8
[M+K]+	316.115688	169.1
[M+H-H2O]+	260.149790	158.8
[M+HCOO]-	322.150731	184.4
[M+CH3COO]-	336.166381	198.0
[M+Na-2H]-	298.127196	167.2
[M]+	277.15198142	170.8
[M]-	277.15307858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe