CID 137964340

2228692-84-8

Structural Information

Molecular Formula
C12H18INO4
SMILES
CC(C)(C)OC(=O)N1CCC12CC(OC2=O)CI
InChI
InChI=1S/C12H18INO4/c1-11(2,3)18-10(16)14-5-4-12(14)6-8(7-13)17-9(12)15/h8H,4-7H2,1-3H3
InChIKey
RBLDVZNEFUMOSQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-(iodomethyl)-8-oxo-7-oxa-1-azaspiro[3.4]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.02805 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03533 162.7
[M+Na]+ 390.01727 161.5
[M-H]- 366.02077 160.7
[M+NH4]+ 385.06187 170.4
[M+K]+ 405.99121 170.1
[M+H-H2O]+ 350.02531 150.5
[M+HCOO]- 412.02625 173.9
[M+CH3COO]- 426.04190 203.2
[M+Na-2H]- 388.00272 154.2
[M]+ 367.02750 170.1
[M]- 367.02860 170.1
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.