CID 3071539

Brn 5445552

Structural Information

Molecular Formula
C9H13N7O2
SMILES
C1COCCN1C2=NC(=NC(=N2)NN)OCC#N
InChI
InChI=1S/C9H13N7O2/c10-1-4-18-9-13-7(15-11)12-8(14-9)16-2-5-17-6-3-16/h2-6,11H2,(H,12,13,14,15)
InChIKey
IJYAVVKRWVFOHH-UHFFFAOYSA-N
Compound name
2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11307 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12035 162.3
[M+Na]+ 274.10229 171.9
[M+NH4]+ 269.14689 163.9
[M+K]+ 290.07623 164.6
[M-H]- 250.10579 157.4
[M+Na-2H]- 272.08774 164.2
[M]+ 251.11252 161.0
[M]- 251.11362 161.0
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.