CID 15555142

55327-30-5

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=CC=C(C=C1)C2=NC(=CO2)C=O
InChI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)11-12-10(6-13)7-14-11/h2-7H,1H3
InChIKey
XRPKQTYCDAGMHG-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 136.6
[M+Na]+ 210.052538 146.8
[M-H]- 186.056044 143.5
[M+NH4]+ 205.097143 155.7
[M+K]+ 226.026478 145.1
[M+H-H2O]+ 170.060580 129.9
[M+HCOO]- 232.061521 161.3
[M+CH3COO]- 246.077171 181.0
[M+Na-2H]- 208.037986 143.2
[M]+ 187.06277142 139.5
[M]- 187.06386858 139.5
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

patents stripe