CID 136762902

Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCNC(=NC)C1

InChI

InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-6-5-12-8(7-13)11-4/h5-7H2,1-4H3,(H,11,12)

InChIKey

BDYRHACUFFMVPT-UHFFFAOYSA-N

Compound name

tert-butyl 3-methyliminopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.14772 Da
Monoisotopic Mass: 0.4
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]+	214.154996	151.6
[M+Na]+	236.136938	156.7
[M-H]-	212.140444	151.9
[M+NH4]+	231.181543	167.5
[M+K]+	252.110878	155.7
[M+H-H2O]+	196.144980	144.5
[M+HCOO]-	258.145921	168.3
[M+CH3COO]-	272.161571	187.7
[M+Na-2H]-	234.122386	155.6
[M]+	213.14717142	148.3
[M]-	213.14826858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.