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]+ 235.10773 150.4
[M+Na]+ 257.08967 159.6
[M-H]- 233.09317 156.9
[M+NH4]+ 252.13427 167.3
[M+K]+ 273.06361 158.4
[M+H-H2O]+ 217.09771 142.9
[M+HCOO]- 279.09865 175.1
[M+CH3COO]- 293.11430 192.4
[M+Na-2H]- 255.07512 155.1
[M]+ 234.09990 154.5
[M]- 234.10100 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.