CID 165917671

Tert-butyl 2-amino-3-(1,3-oxazol-4-yl)propanoate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)C(CC1=COC=N1)N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)8(11)4-7-5-14-6-12-7/h5-6,8H,4,11H2,1-3H3
InChIKey
SPZVEAFJHJEGCN-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-(1,3-oxazol-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 148.8
[M+Na]+ 235.105308 155.0
[M-H]- 211.108814 151.3
[M+NH4]+ 230.149913 166.1
[M+K]+ 251.079248 155.8
[M+H-H2O]+ 195.113350 142.5
[M+HCOO]- 257.114291 169.3
[M+CH3COO]- 271.129941 187.1
[M+Na-2H]- 233.090756 152.8
[M]+ 212.11554142 150.8
[M]- 212.11663858 150.8
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.