CID 22710387

1-boc-3,3-dimethylpiperazine

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CN(CCN1)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3

InChIKey

LBAIYWWWORXVEQ-UHFFFAOYSA-N

Compound name

tert-butyl 3,3-dimethylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 555
Patents: 214.16812 Da
Monoisotopic Mass: 1.1
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]+	215.17540	152.5
[M+Na]+	237.15734	158.1
[M-H]-	213.16084	151.5
[M+NH4]+	232.20194	170.1
[M+K]+	253.13128	157.1
[M+H-H2O]+	197.16538	146.9
[M+HCOO]-	259.16632	166.1
[M+CH3COO]-	273.18197	184.3
[M+Na-2H]-	235.14279	156.4
[M]+	214.16757	149.6
[M]-	214.16867	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe