CID 53407693

3-(2-methoxyphenyl)isoxazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=CC=C1C2=NOC(=C2)C=O
InChI
InChI=1S/C11H9NO3/c1-14-11-5-3-2-4-9(11)10-6-8(7-13)15-12-10/h2-7H,1H3
InChIKey
XOISEUFQRSBSTC-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 139.7
[M+Na]+ 226.04746 149.7
[M-H]- 202.05096 146.5
[M+NH4]+ 221.09206 158.0
[M+K]+ 242.02140 148.6
[M+H-H2O]+ 186.05550 132.7
[M+HCOO]- 248.05644 164.6
[M+CH3COO]- 262.07209 183.1
[M+Na-2H]- 224.03291 146.3
[M]+ 203.05769 144.0
[M]- 203.05879 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

No literature data available for this compound.

Patent stripe

patents stripe