CID 16226789

1-(3,5-dimethylpiperidin-1-yl)-2-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C13H25N3O
SMILES
CC1CC(CN(C1)C(=O)CN2CCNCC2)C
InChI
InChI=1S/C13H25N3O/c1-11-7-12(2)9-16(8-11)13(17)10-15-5-3-14-4-6-15/h11-12,14H,3-10H2,1-2H3
InChIKey
GRYXFBVMMLAQPH-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.19977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.20705 162.8
[M+Na]+ 262.18899 165.1
[M-H]- 238.19249 162.0
[M+NH4]+ 257.23359 175.1
[M+K]+ 278.16293 161.8
[M+H-H2O]+ 222.19703 153.3
[M+HCOO]- 284.19797 172.6
[M+CH3COO]- 298.21362 190.5
[M+Na-2H]- 260.17444 162.0
[M]+ 239.19922 153.3
[M]- 239.20032 153.3
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

No patent data available for this compound.