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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.071726	167.9
[M+Na]+	390.053668	166.1
[M-H]-	366.057174	163.6
[M+NH4]+	385.098273	180.3
[M+K]+	406.027608	171.5
[M+H-H2O]+	350.061710	158.7
[M+HCOO]-	412.062651	177.1
[M+CH3COO]-	426.078301	202.3
[M+Na-2H]-	388.039116	158.0
[M]+	367.06390142	164.7
[M]-	367.06499858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.