CID 10081508

169447-70-5

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

C[C@H]1CNCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1

InChIKey

DATRVIMZZZVHMP-QMMMGPOBSA-N

Compound name

tert-butyl (2S)-2-methylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2946
Patents: 200.15248 Da
Monoisotopic Mass: 0.9
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]+	201.15976	149.4
[M+Na]+	223.14170	154.5
[M-H]-	199.14520	148.2
[M+NH4]+	218.18630	165.5
[M+K]+	239.11564	153.3
[M+H-H2O]+	183.14974	142.9
[M+HCOO]-	245.15068	163.3
[M+CH3COO]-	259.16633	181.7
[M+Na-2H]-	221.12715	152.4
[M]+	200.15193	145.8
[M]-	200.15303	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe