CID 18071419

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

Structural Information

Molecular Formula
C12H14N2O2
SMILES
COC1=CC=C(C=C1)C2=NC(=CO2)CCN
InChI
InChI=1S/C12H14N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6-7,13H2,1H3
InChIKey
WDZAPDWVDUZWOV-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.4
[M+Na]+ 241.094748 155.8
[M-H]- 217.098254 153.4
[M+NH4]+ 236.139353 164.6
[M+K]+ 257.068688 154.0
[M+H-H2O]+ 201.102790 139.8
[M+HCOO]- 263.103731 171.9
[M+CH3COO]- 277.119381 189.1
[M+Na-2H]- 239.080196 152.7
[M]+ 218.10498142 149.6
[M]- 218.10607858 149.6
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

patents stripe