CID 4059864

412320-71-9

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1C(C(CN1)C(=O)O)CO

InChI

InChI=1S/C6H11NO3/c8-3-4-1-7-2-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)

InChIKey

VVGDGTNZNREEHN-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 145.0739 Da
Monoisotopic Mass: -3.6
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]+	146.081176	130.9
[M+Na]+	168.063118	136.9
[M-H]-	144.066624	128.8
[M+NH4]+	163.107723	150.5
[M+K]+	184.037058	135.0
[M+H-H2O]+	128.071160	125.7
[M+HCOO]-	190.072101	148.2
[M+CH3COO]-	204.087751	165.2
[M+Na-2H]-	166.048566	132.9
[M]+	145.07335142	125.7
[M]-	145.07444858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe