CID 155822448

2384698-15-9

Structural Information

Molecular Formula
C12H20INO4
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)OC(CO2)CI
InChI
InChI=1S/C12H20INO4/c1-12(2,3)18-11(15)14-5-9-10(6-14)17-8(4-13)7-16-9/h8-10H,4-7H2,1-3H3
InChIKey
BHDAHFRFEMHBPT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(iodomethyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0437 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05098 168.2
[M+Na]+ 392.03292 166.8
[M-H]- 368.03642 164.7
[M+NH4]+ 387.07752 179.2
[M+K]+ 408.00686 173.8
[M+H-H2O]+ 352.04096 159.3
[M+HCOO]- 414.04190 177.0
[M+CH3COO]- 428.05755 201.7
[M+Na-2H]- 390.01837 159.5
[M]+ 369.04315 166.6
[M]- 369.04425 166.6
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.