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]+ 226.118616 151.6
[M+Na]+ 248.100558 155.4
[M-H]- 224.104064 154.8
[M+NH4]+ 243.145163 161.7
[M+K]+ 264.074498 154.0
[M+H-H2O]+ 208.108600 143.8
[M+HCOO]- 270.109541 172.7
[M+CH3COO]- 284.125191 190.1
[M+Na-2H]- 246.086006 156.9
[M]+ 225.11079142 158.1
[M]- 225.11188858 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.