CID 2736756

5-(4-methoxyphenyl)isoxazole

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=CC=C(C=C1)C2=CC=NO2
InChI
InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3
InChIKey
KKDKBSQRNCPFCM-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

175.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 133.1
[M+Na]+ 198.052538 142.5
[M-H]- 174.056044 139.7
[M+NH4]+ 193.097143 152.5
[M+K]+ 214.026478 141.7
[M+H-H2O]+ 158.060580 126.3
[M+HCOO]- 220.061521 158.0
[M+CH3COO]- 234.077171 177.7
[M+Na-2H]- 196.037986 141.0
[M]+ 175.06277142 136.0
[M]- 175.06386858 136.0
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