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 148.8
[M+Na]+ 274.10229 155.4
[M-H]- 250.10579 147.7
[M+NH4]+ 269.14689 156.0
[M+K]+ 290.07623 153.8
[M+H-H2O]+ 234.11033 130.9
[M+HCOO]- 296.11127 162.2
[M+CH3COO]- 310.12692 207.2
[M+Na-2H]- 272.08774 155.1
[M]+ 251.11252 140.2
[M]- 251.11362 140.2
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.