CID 82393813

Tert-butyl 2-ethyl-3-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCC1C(CCN1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C11H21NO3/c1-5-8-9(13)6-7-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3

InChIKey

QLNZIWCMCVTDIC-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethyl-3-hydroxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.15215 Da
Monoisotopic Mass: 1.6
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]+	216.159426	151.7
[M+Na]+	238.141368	158.1
[M-H]-	214.144874	152.5
[M+NH4]+	233.185973	170.7
[M+K]+	254.115308	157.3
[M+H-H2O]+	198.149410	146.6
[M+HCOO]-	260.150351	168.9
[M+CH3COO]-	274.166001	184.9
[M+Na-2H]-	236.126816	152.5
[M]+	215.15160142	151.9
[M]-	215.15269858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe