CID 121552621

Tert-butyl 3-(5-formyl-1,2-oxazol-3-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NOC(=C2)C=O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)17-11(16)14-5-8(6-14)10-4-9(7-15)18-13-10/h4,7-8H,5-6H2,1-3H3
InChIKey
CMBFSMUZYJTQHT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-formyl-1,2-oxazol-3-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.11101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 152.7
[M+Na]+ 275.100228 158.9
[M-H]- 251.103734 157.5
[M+NH4]+ 270.144833 161.4
[M+K]+ 291.074168 162.2
[M+H-H2O]+ 235.108270 140.9
[M+HCOO]- 297.109211 170.3
[M+CH3COO]- 311.124861 195.0
[M+Na-2H]- 273.085676 155.7
[M]+ 252.11046142 165.2
[M]- 252.11155858 165.2
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