CID 25220804

1185302-47-9

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC1=C(C=C(C=C1)C2=CC(=NO2)CN)OC
InChI
InChI=1S/C12H14N2O3/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11/h3-6H,7,13H2,1-2H3
InChIKey
QYLNRGDQXLKRGH-UHFFFAOYSA-N
Compound name
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.3
[M+Na]+ 257.08967 163.9
[M+NH4]+ 252.13427 158.6
[M+K]+ 273.06361 160.3
[M-H]- 233.09317 155.7
[M+Na-2H]- 255.07512 157.8
[M]+ 234.09990 154.2
[M]- 234.10100 154.2
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.