CID 53384440

832117-79-0

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

4
Patents

286.13895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.146226 160.7
[M+Na]+ 309.128168 165.4
[M-H]- 285.131674 169.8
[M+NH4]+ 304.172773 177.0
[M+K]+ 325.102108 159.5
[M+H-H2O]+ 269.136210 162.6
[M+HCOO]- 331.137151 191.0
[M+CH3COO]- 345.152801 207.8
[M+Na-2H]- 307.113616 175.4
[M]+ 286.13840142 160.6
[M]- 286.13949858 160.6
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