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 160.7
[M+Na]+ 309.12817 165.4
[M-H]- 285.13167 169.8
[M+NH4]+ 304.17277 177.0
[M+K]+ 325.10211 159.5
[M+H-H2O]+ 269.13621 162.6
[M+HCOO]- 331.13715 191.0
[M+CH3COO]- 345.15280 207.8
[M+Na-2H]- 307.11362 175.4
[M]+ 286.13840 160.6
[M]- 286.13950 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