CID 137949474

2172135-66-7

Structural Information

Molecular Formula
C14H24INO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CCOC2CI
InChI
InChI=1S/C14H24INO3/c1-13(2,3)19-12(17)16-7-4-14(5-8-16)6-9-18-11(14)10-15/h11H,4-10H2,1-3H3
InChIKey
NAUPWGZVDFEZKD-UHFFFAOYSA-N
Compound name
tert-butyl 1-(iodomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.08008 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08736 172.6
[M+Na]+ 404.06930 170.0
[M-H]- 380.07280 169.3
[M+NH4]+ 399.11390 185.4
[M+K]+ 420.04324 175.6
[M+H-H2O]+ 364.07734 163.3
[M+HCOO]- 426.07828 181.7
[M+CH3COO]- 440.09393 202.5
[M+Na-2H]- 402.05475 162.9
[M]+ 381.07953 167.8
[M]- 381.08063 167.8
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.