CID 15288506

171056-70-5

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC2=C(C=C1CC(=O)O)NC(=O)O2
InChI
InChI=1S/C9H7NO4/c11-8(12)4-5-1-2-7-6(3-5)10-9(13)14-7/h1-3H,4H2,(H,10,13)(H,11,12)
InChIKey
RGILNTVPXDNGOE-UHFFFAOYSA-N
Compound name
2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.1
[M+Na]+ 216.02672 148.6
[M+NH4]+ 211.07132 142.8
[M+K]+ 232.00066 146.4
[M-H]- 192.03022 136.8
[M+Na-2H]- 214.01217 140.3
[M]+ 193.03695 137.8
[M]- 193.03805 137.8
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