CID 138987771

2168788-43-8

Structural Information

Molecular Formula
C13H22INO3
SMILES
CC(C)(C)OC(=O)N1CC(OC2(C1)CCC2)CI
InChI
InChI=1S/C13H22INO3/c1-12(2,3)18-11(16)15-8-10(7-14)17-13(9-15)5-4-6-13/h10H,4-9H2,1-3H3
InChIKey
UCDOSHOSLWSXTK-UHFFFAOYSA-N
Compound name
tert-butyl 6-(iodomethyl)-5-oxa-8-azaspiro[3.5]nonane-8-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]+ 368.07173 166.3
[M+Na]+ 390.05367 163.2
[M-H]- 366.05717 163.3
[M+NH4]+ 385.09827 172.1
[M+K]+ 406.02761 172.0
[M+H-H2O]+ 350.06171 152.4
[M+HCOO]- 412.06265 174.9
[M+CH3COO]- 426.07830 204.1
[M+Na-2H]- 388.03912 158.7
[M]+ 367.06390 171.0
[M]- 367.06500 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.