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

46
Patents

184.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.164836 145.3
[M+Na]+ 207.146778 150.3
[M-H]- 183.150284 145.0
[M+NH4]+ 202.191383 162.5
[M+K]+ 223.120718 149.0
[M+H-H2O]+ 167.154820 137.8
[M+HCOO]- 229.155761 162.0
[M+CH3COO]- 243.171411 183.3
[M+Na-2H]- 205.132226 148.0
[M]+ 184.15701142 142.7
[M]- 184.15810858 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