CID 82603752

162717-50-2

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC(C1=NOC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-6(10(12)13)9-7-4-2-3-5-8(7)14-11-9/h2-6H,1H3,(H,12,13)
InChIKey
JFCOWVDEBCKXKZ-UHFFFAOYSA-N
Compound name
2-(1,2-benzoxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.4
[M+Na]+ 214.04746 150.0
[M+NH4]+ 209.09206 145.0
[M+K]+ 230.02140 147.4
[M-H]- 190.05096 139.0
[M+Na-2H]- 212.03291 142.4
[M]+ 191.05769 139.5
[M]- 191.05879 139.5
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.