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

6
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 132.5
[M+Na]+ 168.099498 137.7
[M-H]- 144.103004 131.3
[M+NH4]+ 163.144103 151.2
[M+K]+ 184.073438 136.1
[M+H-H2O]+ 128.107540 126.7
[M+HCOO]- 190.108481 149.5
[M+CH3COO]- 204.124131 168.9
[M+Na-2H]- 166.084946 137.0
[M]+ 145.10973142 127.4
[M]- 145.11082858 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