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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.134256	160.6
[M+Na]+	286.116198	168.0
[M-H]-	262.119704	163.9
[M+NH4]+	281.160803	173.9
[M+K]+	302.090138	169.1
[M+H-H2O]+	246.124240	150.2
[M+HCOO]-	308.125181	176.3
[M+CH3COO]-	322.140831	196.6
[M+Na-2H]-	284.101646	163.0
[M]+	263.12643142	171.2
[M]-	263.12752858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.