CID 16228147

3,3-dimethyl-1-(piperazin-1-yl)butan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CC(C)(C)CC(=O)N1CCNCC1

InChI

InChI=1S/C10H20N2O/c1-10(2,3)8-9(13)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3

InChIKey

AXTVUKIOKILONV-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-piperazin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 184.15756 Da
Monoisotopic Mass: 0.7
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]+	185.16484	145.5
[M+Na]+	207.14678	154.5
[M+NH4]+	202.19138	152.2
[M+K]+	223.12072	150.0
[M-H]-	183.15028	144.5
[M+Na-2H]-	205.13223	148.7
[M]+	184.15701	146.2
[M]-	184.15811	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe