CID 51085

Brn 1473073

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CC(=O)C(CN1CCC(CC1)O)CN2CCC(CC2)O
InChI
InChI=1S/C15H28N2O3/c1-12(18)13(10-16-6-2-14(19)3-7-16)11-17-8-4-15(20)5-9-17/h13-15,19-20H,2-11H2,1H3
InChIKey
TWQBSHFVPODIKC-UHFFFAOYSA-N
Compound name
4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.21 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 171.8
[M+Na]+ 307.199218 172.3
[M-H]- 283.202724 170.7
[M+NH4]+ 302.243823 182.6
[M+K]+ 323.173158 169.5
[M+H-H2O]+ 267.207260 163.1
[M+HCOO]- 329.208201 180.2
[M+CH3COO]- 343.223851 197.1
[M+Na-2H]- 305.184666 168.6
[M]+ 284.20945142 163.1
[M]- 284.21054858 163.1
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