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
1
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]+ 237.10945 143.3
[M+Na]+ 259.09139 152.6
[M-H]- 235.09489 147.3
[M+NH4]+ 254.13599 156.5
[M+K]+ 275.06533 153.6
[M+H-H2O]+ 219.09943 133.1
[M+HCOO]- 281.10037 161.9
[M+CH3COO]- 295.11602 155.5
[M+Na-2H]- 257.07684 147.2
[M]+ 236.10162 146.2
[M]- 236.10272 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.