CID 9881588

124752-23-4

Structural Information

Molecular Formula
C13H22O5
SMILES
CC1(O[C@H](C[C@H](O1)C=O)CC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H22O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKey
JEFQIIXBSQLRTF-ZJUUUORDSA-N
Compound name
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

258.14673 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15401 156.1
[M+Na]+ 281.13595 162.4
[M-H]- 257.13945 160.8
[M+NH4]+ 276.18055 172.8
[M+K]+ 297.10989 164.9
[M+H-H2O]+ 241.14399 151.9
[M+HCOO]- 303.14493 172.3
[M+CH3COO]- 317.16058 195.2
[M+Na-2H]- 279.12140 161.7
[M]+ 258.14618 160.4
[M]- 258.14728 160.4
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