CID 153884735

1824232-94-1

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NC(C)(C1CCCC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(4,10(15)16)9-7-5-6-8-9/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)

InChIKey

RFPBGVMVYMXZFM-UHFFFAOYSA-N

Compound name

2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.16272 Da
Monoisotopic Mass: 2.6
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]+	258.169996	161.3
[M+Na]+	280.151938	164.3
[M-H]-	256.155444	162.6
[M+NH4]+	275.196543	178.7
[M+K]+	296.125878	164.1
[M+H-H2O]+	240.159980	156.5
[M+HCOO]-	302.160921	178.0
[M+CH3COO]-	316.176571	193.4
[M+Na-2H]-	278.137386	163.1
[M]+	257.16217142	159.7
[M]-	257.16326858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe