CID 16217810

870703-95-0

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=C(C=C1)C2=CC(=NO2)C=O
InChI
InChI=1S/C11H9NO3/c1-14-10-4-2-8(3-5-10)11-6-9(7-13)12-15-11/h2-7H,1H3
InChIKey
YNRLEBXQHWKCQV-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.7
[M+Na]+ 226.047458 149.7
[M-H]- 202.050964 146.5
[M+NH4]+ 221.092063 158.0
[M+K]+ 242.021398 148.6
[M+H-H2O]+ 186.055500 132.7
[M+HCOO]- 248.056441 164.6
[M+CH3COO]- 262.072091 183.1
[M+Na-2H]- 224.032906 146.3
[M]+ 203.05769142 144.0
[M]- 203.05878858 144.0
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