CID 3071543

Brn 5438617

Structural Information

Molecular Formula
C5H8N8O
SMILES
C(C#N)OC1=NC(=NC(=N1)NN)NN
InChI
InChI=1S/C5H8N8O/c6-1-2-14-5-10-3(12-7)9-4(11-5)13-8/h2,7-8H2,(H2,9,10,11,12,13)
InChIKey
UHVGATBXGLGZHT-UHFFFAOYSA-N
Compound name
2-[(4,6-dihydrazinyl-1,3,5-triazin-2-yl)oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0821 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08938 136.4
[M+Na]+ 219.07132 143.9
[M-H]- 195.07482 134.5
[M+NH4]+ 214.11592 147.9
[M+K]+ 235.04526 143.6
[M+H-H2O]+ 179.07936 120.5
[M+HCOO]- 241.08030 156.7
[M+CH3COO]- 255.09595 203.7
[M+Na-2H]- 217.05677 143.9
[M]+ 196.08155 128.1
[M]- 196.08265 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.