CID 50999078

1006891-33-3

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)O

InChI

InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-6-16-5-4-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1

InChIKey

TXFHSATYMSUPRM-SFYZADRCSA-N

Compound name

(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 245.12633 Da
Monoisotopic Mass: 1.1
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]+	246.133606	154.8
[M+Na]+	268.115548	158.4
[M-H]-	244.119054	156.9
[M+NH4]+	263.160153	169.7
[M+K]+	284.089488	159.6
[M+H-H2O]+	228.123590	149.2
[M+HCOO]-	290.124531	171.0
[M+CH3COO]-	304.140181	191.0
[M+Na-2H]-	266.100996	157.9
[M]+	245.12578142	153.5
[M]-	245.12687858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.