CID 57366422

1332609-51-4

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)C1CNCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C13H26N2O2/c1-12(2,3)10-9-14-7-8-15(10)11(16)17-13(4,5)6/h10,14H,7-9H2,1-6H3

InChIKey

OYUQSTKTENQARL-UHFFFAOYSA-N

Compound name

tert-butyl 2-tert-butylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 242.19943 Da
Monoisotopic Mass: 2.2
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]+	243.20671	162.1
[M+Na]+	265.18865	166.5
[M-H]-	241.19215	160.8
[M+NH4]+	260.23325	176.7
[M+K]+	281.16259	165.1
[M+H-H2O]+	225.19669	155.9
[M+HCOO]-	287.19763	173.4
[M+CH3COO]-	301.21328	190.6
[M+Na-2H]-	263.17410	164.7
[M]+	242.19888	159.0
[M]-	242.19998	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe