CID 455462

Chembl441949

Structural Information

Molecular Formula
C15H30N2O2
SMILES
C1CN(CCC1CO)CCCN2CCC(CC2)CO
InChI
InChI=1S/C15H30N2O2/c18-12-14-2-8-16(9-3-14)6-1-7-17-10-4-15(13-19)5-11-17/h14-15,18-19H,1-13H2
InChIKey
CJISMRFTHCUHIM-UHFFFAOYSA-N
Compound name
[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.23074 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.23802 170.5
[M+Na]+ 293.21996 171.3
[M-H]- 269.22346 169.2
[M+NH4]+ 288.26456 182.2
[M+K]+ 309.19390 167.5
[M+H-H2O]+ 253.22800 161.5
[M+HCOO]- 315.22894 180.4
[M+CH3COO]- 329.24459 193.9
[M+Na-2H]- 291.20541 169.5
[M]+ 270.23019 162.2
[M]- 270.23129 162.2
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.