CID 20377315

42989-90-2

Structural Information

Molecular Formula

C₈H₁₅NO₅

SMILES

CC(C(=O)O)ONC(=O)OC(C)(C)C

InChI

InChI=1S/C8H15NO5/c1-5(6(10)11)14-9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)

InChIKey

NRYLENBEAWHHMU-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.09502 Da
Monoisotopic Mass: 1.0
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]+	206.10230	144.0
[M+Na]+	228.08424	149.4
[M-H]-	204.08774	143.0
[M+NH4]+	223.12884	162.0
[M+K]+	244.05818	150.9
[M+H-H2O]+	188.09228	139.2
[M+HCOO]-	250.09322	163.8
[M+CH3COO]-	264.10887	184.7
[M+Na-2H]-	226.06969	147.1
[M]+	205.09447	146.5
[M]-	205.09557	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe