CID 3407388

1,3-bis(2-methylpiperidin-1-yl)propane-1,3-dione

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC1CCCCN1C(=O)CC(=O)N2CCCCC2C
InChI
InChI=1S/C15H26N2O2/c1-12-7-3-5-9-16(12)14(18)11-15(19)17-10-6-4-8-13(17)2/h12-13H,3-11H2,1-2H3
InChIKey
CKRRKRDDZGUIGT-UHFFFAOYSA-N
Compound name
1,3-bis(2-methylpiperidin-1-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 167.2
[M+Na]+ 289.188648 169.1
[M-H]- 265.192154 169.1
[M+NH4]+ 284.233253 180.4
[M+K]+ 305.162588 166.9
[M+H-H2O]+ 249.196690 158.3
[M+HCOO]- 311.197631 178.7
[M+CH3COO]- 325.213281 197.7
[M+Na-2H]- 287.174096 164.9
[M]+ 266.19888142 159.9
[M]- 266.19997858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.