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]+ 199.10773 144.0
[M+Na]+ 221.08967 152.0
[M-H]- 197.09317 147.0
[M+NH4]+ 216.13427 162.2
[M+K]+ 237.06361 152.5
[M+H-H2O]+ 181.09771 137.6
[M+HCOO]- 243.09865 166.3
[M+CH3COO]- 257.11430 186.9
[M+Na-2H]- 219.07512 146.1
[M]+ 198.09990 146.9
[M]- 198.10100 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.