CID 165989141

2384265-50-1

Structural Information

Molecular Formula
C13H22INO3
SMILES
CC(C)(C)OC(=O)N1CC2CCC(OC2C1)CI
InChI
InChI=1S/C13H22INO3/c1-13(2,3)18-12(16)15-7-9-4-5-10(6-14)17-11(9)8-15/h9-11H,4-8H2,1-3H3
InChIKey
OHWUMTYQSIHCMY-UHFFFAOYSA-N
Compound name
tert-butyl 2-(iodomethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06445 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07173 167.9
[M+Na]+ 390.05367 166.1
[M-H]- 366.05717 163.6
[M+NH4]+ 385.09827 180.3
[M+K]+ 406.02761 171.5
[M+H-H2O]+ 350.06171 158.7
[M+HCOO]- 412.06265 177.1
[M+CH3COO]- 426.07830 202.3
[M+Na-2H]- 388.03912 158.0
[M]+ 367.06390 164.7
[M]- 367.06500 164.7
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.