CID 10608802

191280-88-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CO)O

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1

InChIKey

UFJNFQNQLMGUTQ-YUMQZZPRSA-N

Compound name

tert-butyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 217.13141 Da
Monoisotopic Mass: 0.0
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]+	218.138686	150.6
[M+Na]+	240.120628	156.8
[M-H]-	216.124134	150.1
[M+NH4]+	235.165233	168.7
[M+K]+	256.094568	155.9
[M+H-H2O]+	200.128670	145.7
[M+HCOO]-	262.129611	166.8
[M+CH3COO]-	276.145261	181.5
[M+Na-2H]-	238.106076	151.6
[M]+	217.13086142	149.9
[M]-	217.13195858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe