CID 14333526

83487-19-8

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)N1CCC(C1)O

InChI

InChI=1S/C6H11NO3/c1-10-6(9)7-3-2-5(8)4-7/h5,8H,2-4H2,1H3

InChIKey

UTAOVTFSCMSWNC-UHFFFAOYSA-N

Compound name

methyl 3-hydroxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 145.0739 Da
Monoisotopic Mass: -0.4
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]+	146.08118	129.6
[M+Na]+	168.06312	136.7
[M-H]-	144.06662	130.5
[M+NH4]+	163.10772	150.9
[M+K]+	184.03706	136.7
[M+H-H2O]+	128.07116	124.1
[M+HCOO]-	190.07210	150.1
[M+CH3COO]-	204.08775	168.9
[M+Na-2H]-	166.04857	132.7
[M]+	145.07335	128.1
[M]-	145.07445	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe