CID 21857793

57699-91-9

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCN1

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h9H,4-6H2,1-3H3

InChIKey

MYFMFEXSUJUPEC-UHFFFAOYSA-N

Compound name

tert-butyl pyrazolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 172.12119 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]+	173.12847	141.3
[M+Na]+	195.11041	147.1
[M-H]-	171.11391	140.3
[M+NH4]+	190.15501	160.0
[M+K]+	211.08435	146.5
[M+H-H2O]+	155.11845	135.0
[M+HCOO]-	217.11939	157.9
[M+CH3COO]-	231.13504	174.1
[M+Na-2H]-	193.09586	144.6
[M]+	172.12064	138.6
[M]-	172.12174	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe