CID 64176261

1404692-29-0

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NC1(CCCOC1)C(=O)O

InChI

InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)5-4-6-16-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

YCFDIRVIYFHIIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.12633 Da
Monoisotopic Mass: 0.7
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	154.4
[M+Na]+	268.115548	158.0
[M-H]-	244.119054	156.4
[M+NH4]+	263.160153	171.1
[M+K]+	284.089488	159.6
[M+H-H2O]+	228.123590	149.7
[M+HCOO]-	290.124531	170.5
[M+CH3COO]-	304.140181	189.3
[M+Na-2H]-	266.100996	159.6
[M]+	245.12578142	153.1
[M]-	245.12687858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe