CID 125450410

2060058-30-0

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C3=NC=CN23
InChI
InChI=1S/C13H17N3O3/c1-12(2,3)19-11(18)15-7-13(8-15)6-9(17)10-14-4-5-16(10)13/h4-5H,6-8H2,1-3H3
InChIKey
LVYNHTDWYQQNRK-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxospiro[6H-pyrrolo[1,2-a]imidazole-5,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.0
[M+Na]+ 286.11620 164.0
[M+NH4]+ 281.16080 163.2
[M+K]+ 302.09014 164.4
[M-H]- 262.11970 155.5
[M+Na-2H]- 284.10165 160.4
[M]+ 263.12643 157.9
[M]- 263.12753 157.9
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.