CID 72210724

886780-01-4

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C2CCC2

InChI

InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-14-11(9-15)10-5-4-6-10/h10-11,14H,4-9H2,1-3H3

InChIKey

PFXVSTDZWCSQSN-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyclobutylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.18378 Da
Monoisotopic Mass: 1.8
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]+	241.19106	159.5
[M+Na]+	263.17300	161.5
[M-H]-	239.17650	160.6
[M+NH4]+	258.21760	167.2
[M+K]+	279.14694	162.8
[M+H-H2O]+	223.18104	146.7
[M+HCOO]-	285.18198	170.7
[M+CH3COO]-	299.19763	192.1
[M+Na-2H]-	261.15845	160.5
[M]+	240.18323	162.7
[M]-	240.18433	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe