CID 737119

2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)O
InChI
InChI=1S/C9H7NO4/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
InChIKey
PHIUXGVYFVAGTC-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

193.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 133.9
[M+Na]+ 216.02672 145.2
[M-H]- 192.03022 137.7
[M+NH4]+ 211.07132 153.2
[M+K]+ 232.00066 143.9
[M+H-H2O]+ 176.03476 128.2
[M+HCOO]- 238.03570 157.1
[M+CH3COO]- 252.05135 178.4
[M+Na-2H]- 214.01217 141.6
[M]+ 193.03695 138.6
[M]- 193.03805 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe