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]+ 285.21728 171.8
[M+Na]+ 307.19922 172.3
[M-H]- 283.20272 170.7
[M+NH4]+ 302.24382 182.6
[M+K]+ 323.17316 169.5
[M+H-H2O]+ 267.20726 163.1
[M+HCOO]- 329.20820 180.2
[M+CH3COO]- 343.22385 197.1
[M+Na-2H]- 305.18467 168.6
[M]+ 284.20945 163.1
[M]- 284.21055 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