CID 24730317

889949-18-2

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(CO)N

InChI

InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3

InChIKey

BAMSJMDJDXMZDC-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 216.1474 Da
Monoisotopic Mass: -0.5
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]+	217.15468	149.5
[M+Na]+	239.13662	155.4
[M+NH4]+	234.18122	156.3
[M+K]+	255.11056	153.2
[M-H]-	215.14012	147.5
[M+Na-2H]-	237.12207	152.0
[M]+	216.14685	149.4
[M]-	216.14795	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe