CID 3532020

1-(4-methylpiperazin-1-yl)pentan-1-one

Structural Information

Molecular Formula
C10H20N2O
SMILES
CCCCC(=O)N1CCN(CC1)C
InChI
InChI=1S/C10H20N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChIKey
JDNGEKSTTQZLHP-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

184.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 145.3
[M+Na]+ 207.14678 150.3
[M-H]- 183.15028 145.0
[M+NH4]+ 202.19138 162.5
[M+K]+ 223.12072 149.0
[M+H-H2O]+ 167.15482 137.8
[M+HCOO]- 229.15576 162.0
[M+CH3COO]- 243.17141 183.3
[M+Na-2H]- 205.13223 148.0
[M]+ 184.15701 142.7
[M]- 184.15811 142.7
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