CID 14068968

Tert-butyl 4-cyanopiperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C#N

InChI

InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13/h4-7H2,1-3H3

InChIKey

GDPSCFYDXPEIEE-UHFFFAOYSA-N

Compound name

tert-butyl 4-cyanopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 211.13208 Da
Monoisotopic Mass: 1.2
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]+	212.13936	146.7
[M+Na]+	234.12130	153.7
[M-H]-	210.12480	146.6
[M+NH4]+	229.16590	161.0
[M+K]+	250.09524	152.9
[M+H-H2O]+	194.12934	133.1
[M+HCOO]-	256.13028	159.2
[M+CH3COO]-	270.14593	197.3
[M+Na-2H]-	232.10675	150.2
[M]+	211.13153	139.9
[M]-	211.13263	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe