CID 12281023

1-(2-hydroxyethyl)piperidin-3-ol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1CC(CN(C1)CCO)O
InChI
InChI=1S/C7H15NO2/c9-5-4-8-3-1-2-7(10)6-8/h7,9-10H,1-6H2
InChIKey
DZZDZGVPMIOGSY-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.5
[M+Na]+ 168.09950 137.7
[M-H]- 144.10300 131.3
[M+NH4]+ 163.14410 151.2
[M+K]+ 184.07344 136.1
[M+H-H2O]+ 128.10754 126.7
[M+HCOO]- 190.10848 149.5
[M+CH3COO]- 204.12413 168.9
[M+Na-2H]- 166.08495 137.0
[M]+ 145.10973 127.4
[M]- 145.11083 127.4
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