CID 138987725

2167937-99-5

Structural Information

Molecular Formula
C12H22INO3
SMILES
CC1(COC(CN1C(=O)OC(C)(C)C)CI)C
InChI
InChI=1S/C12H22INO3/c1-11(2,3)17-10(15)14-7-9(6-13)16-8-12(14,4)5/h9H,6-8H2,1-5H3
InChIKey
MSIRDOLZENEODO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(iodomethyl)-5,5-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06445 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07173 166.1
[M+Na]+ 378.05367 165.4
[M-H]- 354.05717 161.8
[M+NH4]+ 373.09827 178.6
[M+K]+ 394.02761 172.0
[M+H-H2O]+ 338.06171 157.4
[M+HCOO]- 400.06265 176.6
[M+CH3COO]- 414.07830 201.1
[M+Na-2H]- 376.03912 158.1
[M]+ 355.06390 164.9
[M]- 355.06500 164.9
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.