CID 550865

170491-63-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC1CO

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3

InChIKey

BFFLLBPMZCIGRM-UHFFFAOYSA-N

Compound name

tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4318
Patents: 201.13649 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]+	202.14377	147.0
[M+Na]+	224.12571	154.5
[M+NH4]+	219.17031	153.1
[M+K]+	240.09965	153.1
[M-H]-	200.12921	145.0
[M+Na-2H]-	222.11116	148.5
[M]+	201.13594	147.1
[M]-	201.13704	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe