CID 114775224

1602880-84-1

Structural Information

Molecular Formula
C11H20INO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CI)O
InChI
InChI=1S/C11H20INO3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8H2,1-3H3
InChIKey
JCWXSRVITIPYMO-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-4-(iodomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05608 164.4
[M+Na]+ 364.03802 162.6
[M-H]- 340.04152 157.8
[M+NH4]+ 359.08262 177.5
[M+K]+ 380.01196 167.7
[M+H-H2O]+ 324.04606 155.7
[M+HCOO]- 386.04700 174.5
[M+CH3COO]- 400.06265 194.7
[M+Na-2H]- 362.02347 155.8
[M]+ 341.04825 160.1
[M]- 341.04935 160.1
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.