CID 43509644

Piperidine-1,2-diethanol

Structural Information

Molecular Formula
C9H19NO2
SMILES
C1CCN(C(C1)CCO)CCO
InChI
InChI=1S/C9H19NO2/c11-7-4-9-3-1-2-5-10(9)6-8-12/h9,11-12H,1-8H2
InChIKey
KEIMDCSRTSXXBP-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxyethyl)piperidin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

173.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.5
[M+Na]+ 196.130808 145.8
[M-H]- 172.134314 139.9
[M+NH4]+ 191.175413 159.0
[M+K]+ 212.104748 143.7
[M+H-H2O]+ 156.138850 135.3
[M+HCOO]- 218.139791 157.8
[M+CH3COO]- 232.155441 175.0
[M+Na-2H]- 194.116256 144.9
[M]+ 173.14104142 137.1
[M]- 173.14213858 137.1
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

No patent data available for this compound.