CID 10419215

3-(hydroxymethyl)piperidin-4-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CNCC(C1O)CO
InChI
InChI=1S/C6H13NO2/c8-4-5-3-7-2-1-6(5)9/h5-9H,1-4H2
InChIKey
FQOGWNRPPJMSEC-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

131.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.9
[M+Na]+ 154.08386 134.1
[M-H]- 130.08736 126.4
[M+NH4]+ 149.12846 147.3
[M+K]+ 170.05780 131.7
[M+H-H2O]+ 114.09190 123.5
[M+HCOO]- 176.09284 144.6
[M+CH3COO]- 190.10849 163.4
[M+Na-2H]- 152.06931 133.4
[M]+ 131.09409 121.5
[M]- 131.09519 121.5
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

patents stripe