CID 154577044

Tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C13H22INO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCC(O2)CI
InChI
InChI=1S/C13H22INO3/c1-12(2,3)18-11(16)15-8-13(9-15)6-4-5-10(7-14)17-13/h10H,4-9H2,1-3H3
InChIKey
KWZZNRMGYYOZPN-UHFFFAOYSA-N
Compound name
tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.071726 166.3
[M+Na]+ 390.053668 163.2
[M-H]- 366.057174 163.3
[M+NH4]+ 385.098273 172.1
[M+K]+ 406.027608 172.0
[M+H-H2O]+ 350.061710 152.4
[M+HCOO]- 412.062651 174.9
[M+CH3COO]- 426.078301 204.1
[M+Na-2H]- 388.039116 158.7
[M]+ 367.06390142 171.0
[M]- 367.06499858 171.0
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.