CID 25324136

2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethan-1-amine

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC=C(C=C1)C2=NC(=CO2)CCN
InChI
InChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKey
CPQIPXOEJSZOSQ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 144.4
[M+Na]+ 225.099828 153.0
[M-H]- 201.103334 150.5
[M+NH4]+ 220.144433 162.4
[M+K]+ 241.073768 150.6
[M+H-H2O]+ 185.107870 137.0
[M+HCOO]- 247.108811 168.7
[M+CH3COO]- 261.124461 187.0
[M+Na-2H]- 223.085276 149.7
[M]+ 202.11006142 145.2
[M]- 202.11115858 145.2
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

patents stripe