CID 12981947

Ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCOC(=O)C1=C(N=C(O1)C(C)N)C
InChI
InChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10/h5H,4,10H2,1-3H3
InChIKey
FPRROMGKAODOOB-UHFFFAOYSA-N
Compound name
ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 144.0
[M+Na]+ 221.089668 152.0
[M-H]- 197.093174 147.0
[M+NH4]+ 216.134273 162.2
[M+K]+ 237.063608 152.5
[M+H-H2O]+ 181.097710 137.6
[M+HCOO]- 243.098651 166.3
[M+CH3COO]- 257.114301 186.9
[M+Na-2H]- 219.075116 146.1
[M]+ 198.09990142 146.9
[M]- 198.10099858 146.9
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.