CID 21682858

2402839-49-8

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CCCN1C)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-7(6(9)10)4-3-5-8(7)2/h3-5H2,1-2H3,(H,9,10)

InChIKey

BWNGEDLBTNTBMD-UHFFFAOYSA-N

Compound name

1,2-dimethylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 406
Patents: 143.09464 Da
Monoisotopic Mass: -1.7
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]+	144.10192	131.2
[M+Na]+	166.08386	140.2
[M+NH4]+	161.12846	140.0
[M+K]+	182.05780	136.0
[M-H]-	142.08736	130.5
[M+Na-2H]-	164.06931	135.6
[M]+	143.09409	132.1
[M]-	143.09519	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe