CID 119056826

Methyl 2,1-benzoxazole-5-carboxylate

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC(=O)C1=CC2=CON=C2C=C1
InChI
InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)5-13-10-8/h2-5H,1H3
InChIKey
UKPZHCYISGJXRP-UHFFFAOYSA-N
Compound name
methyl 2,1-benzoxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.3
[M+Na]+ 200.03181 146.1
[M+NH4]+ 195.07641 140.6
[M+K]+ 216.00575 142.6
[M-H]- 176.03531 134.8
[M+Na-2H]- 198.01726 138.6
[M]+ 177.04204 134.9
[M]- 177.04314 134.9
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

No patent data available for this compound.