CID 643455

1-tert-butoxycarbonylpyrrolidine

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: 7755
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	140.5
[M+Na]+	194.11515	146.4
[M-H]-	170.11865	142.3
[M+NH4]+	189.15975	161.4
[M+K]+	210.08909	146.5
[M+H-H2O]+	154.12319	134.9
[M+HCOO]-	216.12413	159.7
[M+CH3COO]-	230.13978	177.1
[M+Na-2H]-	192.10060	143.9
[M]+	171.12538	139.6
[M]-	171.12648	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe