CID 53429465

886779-85-7

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C2CC2

InChI

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

InChIKey

HHEGEBMPXPIGCR-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyclopropylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	227.17540	160.4
[M+Na]+	249.15734	166.6
[M-H]-	225.16084	163.0
[M+NH4]+	244.20194	170.6
[M+K]+	265.13128	163.4
[M+H-H2O]+	209.16538	152.9
[M+HCOO]-	271.16632	174.3
[M+CH3COO]-	285.18197	189.4
[M+Na-2H]-	247.14279	162.5
[M]+	226.16757	158.8
[M]-	226.16867	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe