CID 66002527

1494153-88-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NCC(C)(CC(=O)O)O

InChI

InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6-10(4,15)5-7(12)13/h15H,5-6H2,1-4H3,(H,11,14)(H,12,13)

InChIKey

QEOTXFAXGLTENY-UHFFFAOYSA-N

Compound name

3-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 233.12633 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]+	234.133606	152.7
[M+Na]+	256.115548	157.5
[M-H]-	232.119054	150.1
[M+NH4]+	251.160153	169.0
[M+K]+	272.089488	157.7
[M+H-H2O]+	216.123590	148.4
[M+HCOO]-	278.124531	169.8
[M+CH3COO]-	292.140181	187.9
[M+Na-2H]-	254.100996	156.6
[M]+	233.12578142	154.2
[M]-	233.12687858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe