CID 58254858

Tert-butyl 2-[(3s)-pyrrolidin-3-yl]acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)OC(=O)C[C@@H]1CCNC1

InChI

InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)6-8-4-5-11-7-8/h8,11H,4-7H2,1-3H3/t8-/m0/s1

InChIKey

IBIYBQSFAAAGKD-QMMMGPOBSA-N

Compound name

tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 185.14159 Da
Monoisotopic Mass: 1.0
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]+	186.148866	145.8
[M+Na]+	208.130808	150.7
[M-H]-	184.134314	145.9
[M+NH4]+	203.175413	165.3
[M+K]+	224.104748	149.6
[M+H-H2O]+	168.138850	140.2
[M+HCOO]-	230.139791	163.1
[M+CH3COO]-	244.155441	178.1
[M+Na-2H]-	206.116256	148.1
[M]+	185.14104142	143.4
[M]-	185.14213858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe