CID 13656208

Ethyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CCOC(=O)N1CCC(C1)N

InChI

InChI=1S/C7H14N2O2/c1-2-11-7(10)9-4-3-6(8)5-9/h6H,2-5,8H2,1H3

InChIKey

AYRKWHRVFHIRPI-UHFFFAOYSA-N

Compound name

ethyl 3-aminopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 158.10553 Da
Monoisotopic Mass: -0.2
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]+	159.11281	135.1
[M+Na]+	181.09475	142.9
[M+NH4]+	176.13935	142.1
[M+K]+	197.06869	140.7
[M-H]-	157.09825	134.9
[M+Na-2H]-	179.08020	137.7
[M]+	158.10498	135.6
[M]-	158.10608	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe