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]+ 267.20671 167.2
[M+Na]+ 289.18865 169.1
[M-H]- 265.19215 169.1
[M+NH4]+ 284.23325 180.4
[M+K]+ 305.16259 166.9
[M+H-H2O]+ 249.19669 158.3
[M+HCOO]- 311.19763 178.7
[M+CH3COO]- 325.21328 197.7
[M+Na-2H]- 287.17410 164.9
[M]+ 266.19888 159.9
[M]- 266.19998 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.