CID 51358395

1313712-68-3

Structural Information

Molecular Formula

C₁₃H₂₇N₃O₂

SMILES

CC(C)(C)OC(=O)N(C)CCCN1CCNCC1

InChI

InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15(4)8-5-9-16-10-6-14-7-11-16/h14H,5-11H2,1-4H3

InChIKey

HAEMTQZTYRRCLI-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(3-piperazin-1-ylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.21033 Da
Monoisotopic Mass: 0.9
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]+	258.21761	165.9
[M+Na]+	280.19955	168.0
[M-H]-	256.20305	165.2
[M+NH4]+	275.24415	179.6
[M+K]+	296.17349	167.5
[M+H-H2O]+	240.20759	158.0
[M+HCOO]-	302.20853	180.3
[M+CH3COO]-	316.22418	198.0
[M+Na-2H]-	278.18500	167.9
[M]+	257.20978	163.5
[M]-	257.21088	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe