CID 28603405

3-[4-(propan-2-yl)phenyl]-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)C1=CC=C(C=C1)C2=NOC(=C2)N
InChI
InChI=1S/C12H14N2O/c1-8(2)9-3-5-10(6-4-9)11-7-12(13)15-14-11/h3-8H,13H2,1-2H3
InChIKey
UFKHVBQEQBOYAZ-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.1
[M+Na]+ 225.099828 153.4
[M-H]- 201.103334 151.3
[M+NH4]+ 220.144433 163.1
[M+K]+ 241.073768 151.5
[M+H-H2O]+ 185.107870 137.9
[M+HCOO]- 247.108811 168.4
[M+CH3COO]- 261.124461 187.9
[M+Na-2H]- 223.085276 149.2
[M]+ 202.11006142 145.3
[M]- 202.11115858 145.3
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.