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

44
Patents

246.10045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 152.6
[M+Na]+ 269.089668 160.2
[M-H]- 245.093174 156.9
[M+NH4]+ 264.134273 167.7
[M+K]+ 285.063608 157.8
[M+H-H2O]+ 229.097710 144.6
[M+HCOO]- 291.098651 169.8
[M+CH3COO]- 305.114301 164.3
[M+Na-2H]- 267.075116 157.1
[M]+ 246.09990142 151.6
[M]- 246.10099858 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