CID 549381

Methyl (2r,4r)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)C1CC(CN1)O

InChI

InChI=1S/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3

InChIKey

ZORHSASAYVIBLY-UHFFFAOYSA-N

Compound name

methyl 4-hydroxypyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2379
Patents: 145.0739 Da
Monoisotopic Mass: -0.7
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]+	146.081176	130.3
[M+Na]+	168.063118	136.8
[M-H]-	144.066624	129.7
[M+NH4]+	163.107723	150.7
[M+K]+	184.037058	135.9
[M+H-H2O]+	128.071160	125.0
[M+HCOO]-	190.072101	149.2
[M+CH3COO]-	204.087751	167.0
[M+Na-2H]-	166.048566	132.8
[M]+	145.07335142	126.9
[M]-	145.07444858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe