CID 9990174

3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)OC1=O
InChI
InChI=1S/C9H7NO4/c1-10-6-4-5(8(11)12)2-3-7(6)14-9(10)13/h2-4H,1H3,(H,11,12)
InChIKey
LCLAZLIVBFONSJ-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 133.5
[M+Na]+ 216.02672 145.8
[M-H]- 192.03022 137.8
[M+NH4]+ 211.07132 153.2
[M+K]+ 232.00066 144.5
[M+H-H2O]+ 176.03476 128.2
[M+HCOO]- 238.03570 156.7
[M+CH3COO]- 252.05135 179.6
[M+Na-2H]- 214.01217 140.6
[M]+ 193.03695 138.7
[M]- 193.03805 138.7
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