CID 72210722

1240586-17-7

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNC[C@@H]1C2CC2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-13-8-10(14)9-4-5-9/h9-10,13H,4-8H2,1-3H3/t10-/m1/s1

InChIKey

WRKIMEBHYLJNGY-SNVBAGLBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
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]+	227.175396	160.4
[M+Na]+	249.157338	166.6
[M-H]-	225.160844	163.0
[M+NH4]+	244.201943	170.6
[M+K]+	265.131278	163.4
[M+H-H2O]+	209.165380	152.9
[M+HCOO]-	271.166321	174.3
[M+CH3COO]-	285.181971	189.4
[M+Na-2H]-	247.142786	162.5
[M]+	226.16757142	158.8
[M]-	226.16866858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe