CID 21266355

1-(2-hydroxyethyl)-3-piperidinecarboxylic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CC(CN(C1)CCO)C(=O)O
InChI
InChI=1S/C8H15NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKey
JJKYOTBAUFASAX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

173.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.6
[M+Na]+ 196.09442 143.3
[M-H]- 172.09792 137.3
[M+NH4]+ 191.13902 155.9
[M+K]+ 212.06836 141.9
[M+H-H2O]+ 156.10246 132.6
[M+HCOO]- 218.10340 154.7
[M+CH3COO]- 232.11905 174.1
[M+Na-2H]- 194.07987 141.4
[M]+ 173.10465 134.0
[M]- 173.10575 134.0
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