CID 23138106

856417-72-6

Structural Information

Molecular Formula

C₁₃H₂₃NO₅

SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C1(CCCCC1)O

InChI

InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-9(10(15)16)13(18)7-5-4-6-8-13/h9,18H,4-8H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

IZSVJQVMRJYFPC-UHFFFAOYSA-N

Compound name

2-(1-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.15762 Da
Monoisotopic Mass: 2.1
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]+	274.164896	163.5
[M+Na]+	296.146838	165.5
[M-H]-	272.150344	163.1
[M+NH4]+	291.191443	179.5
[M+K]+	312.120778	165.6
[M+H-H2O]+	256.154880	159.1
[M+HCOO]-	318.155821	177.3
[M+CH3COO]-	332.171471	193.8
[M+Na-2H]-	294.132286	165.1
[M]+	273.15707142	159.8
[M]-	273.15816858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe