CID 25220804

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine hydrochloride

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]+ 235.107726 150.4
[M+Na]+ 257.089668 159.6
[M-H]- 233.093174 156.9
[M+NH4]+ 252.134273 167.3
[M+K]+ 273.063608 158.4
[M+H-H2O]+ 217.097710 142.9
[M+HCOO]- 279.098651 175.1
[M+CH3COO]- 293.114301 192.4
[M+Na-2H]- 255.075116 155.1
[M]+ 234.09990142 154.5
[M]- 234.10099858 154.5
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

No patent data available for this compound.