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

27
Patents

193.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 134.6
[M+Na]+ 216.026718 145.5
[M-H]- 192.030224 137.0
[M+NH4]+ 211.071323 153.2
[M+K]+ 232.000658 143.2
[M+H-H2O]+ 176.034760 129.2
[M+HCOO]- 238.035701 156.3
[M+CH3COO]- 252.051351 175.9
[M+Na-2H]- 214.012166 141.8
[M]+ 193.03695142 137.5
[M]- 193.03804858 137.5
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

patents stripe