CID 130156654

1823830-87-0

Structural Information

Molecular Formula
C12H20INO3
SMILES
CC(C)(C)OC(=O)N1CC2CC(OC2C1)CI
InChI
InChI=1S/C12H20INO3/c1-12(2,3)17-11(15)14-6-8-4-9(5-13)16-10(8)7-14/h8-10H,4-7H2,1-3H3
InChIKey
SVZZQMWNBGDULD-UHFFFAOYSA-N
Compound name
tert-butyl 2-(iodomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05608 164.6
[M+Na]+ 376.03802 164.1
[M-H]- 352.04152 161.1
[M+NH4]+ 371.08262 179.5
[M+K]+ 392.01196 169.8
[M+H-H2O]+ 336.04606 156.6
[M+HCOO]- 398.04700 176.4
[M+CH3COO]- 412.06265 199.3
[M+Na-2H]- 374.02347 154.0
[M]+ 353.04825 163.3
[M]- 353.04935 163.3
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.