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]+ 240.207046 162.8
[M+Na]+ 262.188988 165.1
[M-H]- 238.192494 162.0
[M+NH4]+ 257.233593 175.1
[M+K]+ 278.162928 161.8
[M+H-H2O]+ 222.197030 153.3
[M+HCOO]- 284.197971 172.6
[M+CH3COO]- 298.213621 190.5
[M+Na-2H]- 260.174436 162.0
[M]+ 239.19922142 153.3
[M]- 239.20031858 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.