CID 146082554

2141577-06-0

Structural Information

Molecular Formula
C15H26INO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCC(O2)CI)CC1
InChI
InChI=1S/C15H26INO3/c1-14(2,3)20-13(18)17-9-7-15(8-10-17)6-4-5-12(11-16)19-15/h12H,4-11H2,1-3H3
InChIKey
OSKSAQBYSYHWQH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(iodomethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10301 176.6
[M+Na]+ 418.08495 172.6
[M-H]- 394.08845 172.6
[M+NH4]+ 413.12955 186.9
[M+K]+ 434.05889 178.3
[M+H-H2O]+ 378.09299 166.1
[M+HCOO]- 440.09393 183.2
[M+CH3COO]- 454.10958 205.8
[M+Na-2H]- 416.07040 167.7
[M]+ 395.09518 170.0
[M]- 395.09628 170.0
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.