CID 643455

1-boc-pyrrolidine

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)OC(=O)N1CCCC1

InChI

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H2,1-3H3

InChIKey

LPQZERIRKRYGGM-UHFFFAOYSA-N

Compound name

tert-butyl pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 29
References: 7111
Patents: 171.12593 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]+	172.13321	139.9
[M+Na]+	194.11515	148.3
[M+NH4]+	189.15975	147.2
[M+K]+	210.08909	146.1
[M-H]-	170.11865	139.0
[M+Na-2H]-	192.10060	143.0
[M]+	171.12538	140.5
[M]-	171.12648	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe