CID 18347825

1,2-dimethylpyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1C(CCN1C)C(=O)O

InChI

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

InChIKey

FBSOOQHWDCAIRW-UHFFFAOYSA-N

Compound name

1,2-dimethylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.09464 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]+	144.10192	131.0
[M+Na]+	166.08386	140.2
[M+NH4]+	161.12846	138.4
[M+K]+	182.05780	137.9
[M-H]-	142.08736	130.4
[M+Na-2H]-	164.06931	133.6
[M]+	143.09409	131.7
[M]-	143.09519	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe