CID 84078809

1783329-94-1

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C(C)(C)C(=O)O

InChI

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

InChIKey

ZJYTXRURVQMHGF-UHFFFAOYSA-N

Compound name

2-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.16272 Da
Monoisotopic Mass: 1.9
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	160.9
[M+Na]+	280.151938	165.8
[M-H]-	256.155444	161.4
[M+NH4]+	275.196543	177.7
[M+K]+	296.125878	165.5
[M+H-H2O]+	240.159980	156.1
[M+HCOO]-	302.160921	175.3
[M+CH3COO]-	316.176571	192.2
[M+Na-2H]-	278.137386	161.7
[M]+	257.16217142	161.0
[M]-	257.16326858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe