CID 85661517

144333-84-6

Structural Information

Molecular Formula
C9H12N6O2
SMILES
C1COC(O1)(CN2C=NC=N2)CN3C=NC=N3
InChI
InChI=1S/C9H12N6O2/c1-2-17-9(16-1,3-14-7-10-5-12-14)4-15-8-11-6-13-15/h5-8H,1-4H2
InChIKey
VTRUDLRSKOSPSG-UHFFFAOYSA-N
Compound name
1-[[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.10217 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.109446 143.3
[M+Na]+ 259.091388 152.6
[M-H]- 235.094894 147.3
[M+NH4]+ 254.135993 156.5
[M+K]+ 275.065328 153.6
[M+H-H2O]+ 219.099430 133.1
[M+HCOO]- 281.100371 161.9
[M+CH3COO]- 295.116021 155.5
[M+Na-2H]- 257.076836 147.2
[M]+ 236.10162142 146.2
[M]- 236.10271858 146.2
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

No patent data available for this compound.