CID 138696089

2-[(1s,3s)-3-{[(tert-butoxy)carbonyl]amino}cyclobutoxy]acetic acid

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NC1CC(C1)OCC(=O)O

InChI

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

InChIKey

SUFFQVADAGUVRO-UHFFFAOYSA-N

Compound name

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 245.12633 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]+	246.133606	157.5
[M+Na]+	268.115548	159.9
[M-H]-	244.119054	158.9
[M+NH4]+	263.160153	167.0
[M+K]+	284.089488	163.7
[M+H-H2O]+	228.123590	146.1
[M+HCOO]-	290.124531	175.0
[M+CH3COO]-	304.140181	195.3
[M+Na-2H]-	266.100996	158.7
[M]+	245.12578142	167.3
[M]-	245.12687858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe