CID 83080746

2375262-44-3

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC(C)(C)CCC1(CCCN1)C(=O)O

InChI

InChI=1S/C11H21NO2/c1-10(2,3)6-7-11(9(13)14)5-4-8-12-11/h12H,4-8H2,1-3H3,(H,13,14)

InChIKey

OWJYLBQNMSISIK-UHFFFAOYSA-N

Compound name

2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.15723 Da
Monoisotopic Mass: -0.1
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]+	200.164506	149.7
[M+Na]+	222.146448	154.6
[M-H]-	198.149954	148.5
[M+NH4]+	217.191053	169.9
[M+K]+	238.120388	152.6
[M+H-H2O]+	182.154490	145.2
[M+HCOO]-	244.155431	165.1
[M+CH3COO]-	258.171081	178.7
[M+Na-2H]-	220.131896	152.4
[M]+	199.15668142	146.2
[M]-	199.15777858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.