CID 154724949

Ethyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCOC(=O)C1=CON=C1C(C)(C)N
InChI
InChI=1S/C9H14N2O3/c1-4-13-8(12)6-5-14-11-7(6)9(2,3)10/h5H,4,10H2,1-3H3
InChIKey
PBKSRFGAJJRPSF-UHFFFAOYSA-N
Compound name
ethyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 143.4
[M+Na]+ 221.08967 151.1
[M-H]- 197.09317 146.2
[M+NH4]+ 216.13427 161.5
[M+K]+ 237.06361 151.6
[M+H-H2O]+ 181.09771 137.4
[M+HCOO]- 243.09865 165.1
[M+CH3COO]- 257.11430 185.1
[M+Na-2H]- 219.07512 148.4
[M]+ 198.09990 146.0
[M]- 198.10100 146.0
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.