CID 21864153

61406-78-8

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CCNC1C(=O)O)C

InChI

InChI=1S/C7H13NO2/c1-7(2)3-4-8-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)

InChIKey

JQFLYFRHDIHZFZ-UHFFFAOYSA-N

Compound name

3,3-dimethylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2701
Patents: 143.09464 Da
Monoisotopic Mass: -1.5
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	131.6
[M+Na]+	166.08386	140.0
[M+NH4]+	161.12846	140.0
[M+K]+	182.05780	136.1
[M-H]-	142.08736	130.4
[M+Na-2H]-	164.06931	135.4
[M]+	143.09409	132.2
[M]-	143.09519	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe