CID 11053098

273223-12-4

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)OC)C=O
InChI
InChI=1S/C12H11NO3/c1-8-11(7-14)12(13-16-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChIKey
ARUDIIZCBYPNNS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.5
[M+Na]+ 240.06312 159.8
[M+NH4]+ 235.10772 153.3
[M+K]+ 256.03706 155.6
[M-H]- 216.06662 149.7
[M+Na-2H]- 238.04857 152.8
[M]+ 217.07335 148.8
[M]- 217.07445 148.8
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.