CID 3049269

2-oxazolemethanamine, n-ethyl-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCNCC1=NC=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c1-2-13-9-12-14-8-11(15-12)10-6-4-3-5-7-10/h3-8,13H,2,9H2,1H3
InChIKey
FZAKGBJMKHBCJA-UHFFFAOYSA-N
Compound name
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 143.7
[M+Na]+ 225.099828 151.3
[M-H]- 201.103334 149.8
[M+NH4]+ 220.144433 161.6
[M+K]+ 241.073768 149.3
[M+H-H2O]+ 185.107870 136.0
[M+HCOO]- 247.108811 168.6
[M+CH3COO]- 261.124461 186.5
[M+Na-2H]- 223.085276 150.8
[M]+ 202.11006142 145.1
[M]- 202.11115858 145.1
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