CID 23591750

1260092-44-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NCCOCCC(=O)O

InChI

InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-5-7-15-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

YGNSGMAPLOVGIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 233.12633 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]+	234.133606	153.5
[M+Na]+	256.115548	158.3
[M-H]-	232.119054	152.0
[M+NH4]+	251.160153	170.4
[M+K]+	272.089488	158.8
[M+H-H2O]+	216.123590	148.2
[M+HCOO]-	278.124531	173.6
[M+CH3COO]-	292.140181	189.8
[M+Na-2H]-	254.100996	156.7
[M]+	233.12578142	157.4
[M]-	233.12687858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe