CID 122164019

Tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H20INO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(O2)CI
InChI
InChI=1S/C12H20INO3/c1-11(2,3)17-10(15)14-7-12(8-14)5-4-9(6-13)16-12/h9H,4-8H2,1-3H3
InChIKey
LYGQZEWJUKSMPU-UHFFFAOYSA-N
Compound name
tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05608 161.7
[M+Na]+ 376.03802 159.7
[M-H]- 352.04152 159.5
[M+NH4]+ 371.08262 169.9
[M+K]+ 392.01196 168.3
[M+H-H2O]+ 336.04606 149.2
[M+HCOO]- 398.04700 172.6
[M+CH3COO]- 412.06265 200.9
[M+Na-2H]- 374.02347 153.5
[M]+ 353.04825 168.1
[M]- 353.04935 168.1
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.