CID 9816650

Tert-butyl 2-[(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Structural Information

Molecular Formula
C13H24O5
SMILES
CC1(O[C@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10,14H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKey
CFRUAOXMCVQMFP-ZJUUUORDSA-N
Compound name
tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

260.16238 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16966 159.0
[M+Na]+ 283.15160 164.6
[M-H]- 259.15510 162.2
[M+NH4]+ 278.19620 175.0
[M+K]+ 299.12554 166.8
[M+H-H2O]+ 243.15964 154.9
[M+HCOO]- 305.16058 173.4
[M+CH3COO]- 319.17623 193.6
[M+Na-2H]- 281.13705 164.0
[M]+ 260.16183 162.1
[M]- 260.16293 162.1
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