CID 14021870

1-methyl-2-pyrrolidineacetic acid

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN1CCCC1CC(=O)O

InChI

InChI=1S/C7H13NO2/c1-8-4-2-3-6(8)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)

InChIKey

WQGHBXNTZFIOSX-UHFFFAOYSA-N

Compound name

2-(1-methylpyrrolidin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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]+	144.101916	131.1
[M+Na]+	166.083858	137.7
[M-H]-	142.087364	131.7
[M+NH4]+	161.128463	152.3
[M+K]+	182.057798	136.9
[M+H-H2O]+	126.091900	125.5
[M+HCOO]-	188.092841	150.9
[M+CH3COO]-	202.108491	171.2
[M+Na-2H]-	164.069306	133.6
[M]+	143.09409142	128.6
[M]-	143.09518858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe