CID 7062399

88790-38-9

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CCO

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(12)6-8-13/h9,13H,4-8H2,1-3H3/t9-/m0/s1

InChIKey

MXPOLUPSEVGAAS-VIFPVBQESA-N

Compound name

tert-butyl (2S)-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 215.15215 Da
Monoisotopic Mass: 1.3
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	152.6
[M+Na]+	238.141368	158.0
[M-H]-	214.144874	153.0
[M+NH4]+	233.185973	171.3
[M+K]+	254.115308	157.2
[M+H-H2O]+	198.149410	147.1
[M+HCOO]-	260.150351	169.8
[M+CH3COO]-	274.166001	183.7
[M+Na-2H]-	236.126816	154.0
[M]+	215.15160142	152.3
[M]-	215.15269858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe