CID 22219867

438049-35-5

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CCC1CN(CCN1)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3

InChIKey

DXJOJUNLMJMJSN-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 214.16812 Da
Monoisotopic Mass: 1.4
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]+	215.175396	153.9
[M+Na]+	237.157338	158.6
[M-H]-	213.160844	152.6
[M+NH4]+	232.201943	169.5
[M+K]+	253.131278	157.2
[M+H-H2O]+	197.165380	147.3
[M+HCOO]-	259.166321	167.5
[M+CH3COO]-	273.181971	184.7
[M+Na-2H]-	235.142786	156.4
[M]+	214.16757142	150.7
[M]-	214.16866858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe