CID 2734288

(4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Structural Information

Molecular Formula
C14H27NO4
SMILES
CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C
InChI
InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1
InChIKey
HWSHVKNLMBMKSR-GHMZBOCLSA-N
Compound name
tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

273.194 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20128 166.3
[M+Na]+ 296.18322 171.0
[M-H]- 272.18672 170.0
[M+NH4]+ 291.22782 181.8
[M+K]+ 312.15716 172.9
[M+H-H2O]+ 256.19126 161.3
[M+HCOO]- 318.19220 181.9
[M+CH3COO]- 332.20785 201.4
[M+Na-2H]- 294.16867 170.1
[M]+ 273.19345 168.3
[M]- 273.19455 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe