CID 129964389

887591-76-6

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NOC(=C2)N
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)16-10(15)14-5-7(6-14)8-4-9(12)17-13-8/h4,7H,5-6,12H2,1-3H3
InChIKey
IMEKTZIUBDQCNL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-amino-1,2-oxazol-3-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.134276 154.1
[M+Na]+ 262.116218 159.4
[M-H]- 238.119724 158.5
[M+NH4]+ 257.160823 162.7
[M+K]+ 278.090158 162.7
[M+H-H2O]+ 222.124260 141.5
[M+HCOO]- 284.125201 171.8
[M+CH3COO]- 298.140851 195.1
[M+Na-2H]- 260.101666 156.5
[M]+ 239.12645142 163.7
[M]- 239.12754858 163.7
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.