CID 2764164

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

204.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.7
[M+Na]+ 227.079088 151.6
[M-H]- 203.082594 149.0
[M+NH4]+ 222.123693 160.5
[M+K]+ 243.053028 150.0
[M+H-H2O]+ 187.087130 135.3
[M+HCOO]- 249.088071 167.5
[M+CH3COO]- 263.103721 186.1
[M+Na-2H]- 225.064536 148.6
[M]+ 204.08932142 144.6
[M]- 204.09041858 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

literature stripe

Patent stripe

patents stripe