CID 10899667

Tert-butyl 2-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC1OC

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h8H,5-7H2,1-4H3

InChIKey

DPXHOJKWWBPIKK-UHFFFAOYSA-N

Compound name

tert-butyl 2-methoxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 201.13649 Da
Monoisotopic Mass: 1.6
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	147.1
[M+Na]+	224.12571	153.4
[M-H]-	200.12921	149.1
[M+NH4]+	219.17031	167.1
[M+K]+	240.09965	153.8
[M+H-H2O]+	184.13375	141.6
[M+HCOO]-	246.13469	166.2
[M+CH3COO]-	260.15034	183.3
[M+Na-2H]-	222.11116	149.5
[M]+	201.13594	148.4
[M]-	201.13704	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe