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

78
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.2
[M+Na]+ 226.04746 155.4
[M+NH4]+ 221.09206 149.2
[M+K]+ 242.02140 151.1
[M-H]- 202.05096 145.3
[M+Na-2H]- 224.03291 149.0
[M]+ 203.05769 144.4
[M]- 203.05879 144.4
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