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

3
Patents

252.11101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 152.7
[M+Na]+ 275.10023 158.9
[M-H]- 251.10373 157.5
[M+NH4]+ 270.14483 161.4
[M+K]+ 291.07417 162.2
[M+H-H2O]+ 235.10827 140.9
[M+HCOO]- 297.10921 170.3
[M+CH3COO]- 311.12486 195.0
[M+Na-2H]- 273.08568 155.7
[M]+ 252.11046 165.2
[M]- 252.11156 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