CID 19887583

2-(1-benzyl-3-hydroxypiperidin-3-yl)acetic acid

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(CC(=O)O)O
InChI
InChI=1S/C14H19NO3/c16-13(17)9-14(18)7-4-8-15(11-14)10-12-5-2-1-3-6-12/h1-3,5-6,18H,4,7-11H2,(H,16,17)
InChIKey
WNJCALQSYAGVPA-UHFFFAOYSA-N
Compound name
2-(1-benzyl-3-hydroxypiperidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.13649 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.5
[M+Na]+ 272.12571 162.9
[M-H]- 248.12921 160.3
[M+NH4]+ 267.17031 174.3
[M+K]+ 288.09965 159.6
[M+H-H2O]+ 232.13375 151.3
[M+HCOO]- 294.13469 174.1
[M+CH3COO]- 308.15034 187.5
[M+Na-2H]- 270.11116 161.9
[M]+ 249.13594 153.8
[M]- 249.13704 153.8
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