CID 253234

2-(4-(2-hydroxyethyl)piperazinomethyl)-3-hydroxypiperidine

Structural Information

Molecular Formula
C12H25N3O2
SMILES
C1CC(C(NC1)CN2CCN(CC2)CCO)O
InChI
InChI=1S/C12H25N3O2/c16-9-8-14-4-6-15(7-5-14)10-11-12(17)2-1-3-13-11/h11-13,16-17H,1-10H2
InChIKey
XVTKRKLQANBQQO-UHFFFAOYSA-N
Compound name
2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.19467 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 163.0
[M+Na]+ 266.18389 164.8
[M-H]- 242.18739 159.5
[M+NH4]+ 261.22849 173.7
[M+K]+ 282.15783 160.6
[M+H-H2O]+ 226.19193 153.9
[M+HCOO]- 288.19287 171.1
[M+CH3COO]- 302.20852 185.4
[M+Na-2H]- 264.16934 163.0
[M]+ 243.19412 152.5
[M]- 243.19522 152.5
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