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

58
Patents

184.15756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 146.6
[M+Na]+ 207.14678 150.8
[M-H]- 183.15028 145.0
[M+NH4]+ 202.19138 163.0
[M+K]+ 223.12072 149.0
[M+H-H2O]+ 167.15482 140.0
[M+HCOO]- 229.15576 160.2
[M+CH3COO]- 243.17141 179.1
[M+Na-2H]- 205.13223 150.3
[M]+ 184.15701 141.2
[M]- 184.15811 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe