CID 44541917

1196059-61-6

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC=C(C=C1)C2=CC=NO2
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-7-12-15-10/h2-7H,1H3
InChIKey
SZCTXCZVDFSQIC-UHFFFAOYSA-N
Compound name
methyl 4-(1,2-oxazol-5-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.6
[M+Na]+ 226.047458 149.5
[M-H]- 202.050964 147.3
[M+NH4]+ 221.092063 158.7
[M+K]+ 242.021398 148.9
[M+H-H2O]+ 186.055500 133.6
[M+HCOO]- 248.056441 164.5
[M+CH3COO]- 262.072091 182.1
[M+Na-2H]- 224.032906 146.7
[M]+ 203.05769142 143.9
[M]- 203.05878858 143.9
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

No patent data available for this compound.