CID 2302258

1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CN(CCC1C(=O)O)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C13H14N2O3/c16-12(17)9-5-7-15(8-6-9)13-14-10-3-1-2-4-11(10)18-13/h1-4,9H,5-8H2,(H,16,17)
InChIKey
OWLMBHUAWNJFSB-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

246.10045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 152.6
[M+Na]+ 269.08967 160.2
[M-H]- 245.09317 156.9
[M+NH4]+ 264.13427 167.7
[M+K]+ 285.06361 157.8
[M+H-H2O]+ 229.09771 144.6
[M+HCOO]- 291.09865 169.8
[M+CH3COO]- 305.11430 164.3
[M+Na-2H]- 267.07512 157.1
[M]+ 246.09990 151.6
[M]- 246.10100 151.6
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