CID 28808413

1263094-48-9

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COC1=CC=CC(=C1)C2=CC(=NO2)CN
InChI
InChI=1S/C11H12N2O2/c1-14-10-4-2-3-8(5-10)11-6-9(7-12)13-15-11/h2-6H,7,12H2,1H3
InChIKey
KLGTYFNPHMEIJY-UHFFFAOYSA-N
Compound name
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.7
[M+Na]+ 227.07909 151.6
[M-H]- 203.08259 149.0
[M+NH4]+ 222.12369 160.5
[M+K]+ 243.05303 150.0
[M+H-H2O]+ 187.08713 135.3
[M+HCOO]- 249.08807 167.5
[M+CH3COO]- 263.10372 186.1
[M+Na-2H]- 225.06454 148.6
[M]+ 204.08932 144.6
[M]- 204.09042 144.6
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.