CID 71565411

1250998-93-6

Structural Information

Molecular Formula
C14H24INO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(OC2)CI
InChI
InChI=1S/C14H24INO3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)18-10-14/h11H,4-10H2,1-3H3
InChIKey
USSPBBSWVQVHKR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(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 174.6
[M+Na]+ 404.06930 174.8
[M+NH4]+ 399.11390 178.2
[M+K]+ 420.04324 173.9
[M-H]- 380.07280 169.6
[M+Na-2H]- 402.05475 164.8
[M]+ 381.07953 172.0
[M]- 381.08063 172.0
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.