CID 13353743

Methyl benzo[d]oxazole-2-carboxylate

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC(=O)C1=NC2=CC=CC=C2O1
InChI
InChI=1S/C9H7NO3/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChIKey
YDKNBNOOCSNPNS-UHFFFAOYSA-N
Compound name
methyl 1,3-benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47484
Patents

177.04259 Da
Monoisotopic Mass

2.1
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

patents stripe