CID 165940745

Tert-butyl 3-(2-diazoacetyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)C=[N+]=[N-]
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-5-7(6-13)8(14)4-12-11/h4,7H,5-6H2,1-3H3
InChIKey
IUXBTHCHOPZGDI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-diazoacetyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 151.6
[M+Na]+ 248.10056 155.4
[M-H]- 224.10406 154.8
[M+NH4]+ 243.14516 161.7
[M+K]+ 264.07450 154.0
[M+H-H2O]+ 208.10860 143.8
[M+HCOO]- 270.10954 172.7
[M+CH3COO]- 284.12519 190.1
[M+Na-2H]- 246.08601 156.9
[M]+ 225.11079 158.1
[M]- 225.11189 158.1
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.