CID 53384440

(2r,3r,5s,6s)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

Structural Information

Molecular Formula
C10H18N6O4
SMILES
C[C@@]1([C@](O[C@H]([C@@H](O1)CN=[N+]=[N-])CN=[N+]=[N-])(C)OC)OC
InChI
InChI=1S/C10H18N6O4/c1-9(17-3)10(2,18-4)20-8(6-14-16-12)7(19-9)5-13-15-11/h7-8H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKey
VKZQUTPIKFBBMZ-AXTSPUMRSA-N
Compound name
(2R,3R,5S,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.13895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14623 178.1
[M+Na]+ 309.12817 183.1
[M+NH4]+ 304.17277 185.8
[M+K]+ 325.10211 191.6
[M-H]- 285.13167 173.2
[M+Na-2H]- 307.11362 174.5
[M]+ 286.13840 179.2
[M]- 286.13950 179.2
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

patents stripe