CID 54484837

1-methyl-2-(propan-2-yl)piperazine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC(C)C1CNCCN1C

InChI

InChI=1S/C8H18N2/c1-7(2)8-6-9-4-5-10(8)3/h7-9H,4-6H2,1-3H3

InChIKey

ZLIRFYITEGBFOY-UHFFFAOYSA-N

Compound name

1-methyl-2-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 142.147 Da
Monoisotopic Mass: 1.0
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]+	143.154276	135.3
[M+Na]+	165.136218	140.3
[M-H]-	141.139724	133.9
[M+NH4]+	160.180823	153.5
[M+K]+	181.110158	138.8
[M+H-H2O]+	125.144260	128.6
[M+HCOO]-	187.145201	150.6
[M+CH3COO]-	201.160851	174.1
[M+Na-2H]-	163.121666	138.5
[M]+	142.14645142	129.4
[M]-	142.14754858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe