CID 154828517

2172168-91-9

Structural Information

Molecular Formula
C13H22INO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)COCC(O2)CI
InChI
InChI=1S/C13H22INO4/c1-12(2,3)19-11(16)15-5-4-13(8-15)9-17-7-10(6-14)18-13/h10H,4-9H2,1-3H3
InChIKey
KNNAUPCCGSQALF-UHFFFAOYSA-N
Compound name
tert-butyl 7-(iodomethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.05936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06664 172.6
[M+Na]+ 406.04858 170.4
[M-H]- 382.05208 170.0
[M+NH4]+ 401.09318 184.0
[M+K]+ 422.02252 177.5
[M+H-H2O]+ 366.05662 163.5
[M+HCOO]- 428.05756 181.2
[M+CH3COO]- 442.07321 201.9
[M+Na-2H]- 404.03403 164.2
[M]+ 383.05881 169.3
[M]- 383.05991 169.3
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.