CID 3071542

Brn 5448668

Structural Information

Molecular Formula
C11H12N6O3
SMILES
C1COCCN1C2=NC(=NC(=N2)OCC#N)OCC#N
InChI
InChI=1S/C11H12N6O3/c12-1-5-19-10-14-9(17-3-7-18-8-4-17)15-11(16-10)20-6-2-13/h3-8H2
InChIKey
AQHWOQASONZRIB-UHFFFAOYSA-N
Compound name
2-[[4-(cyanomethoxy)-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

276.09708 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10436 149.7
[M+Na]+ 299.08630 156.6
[M-H]- 275.08980 148.4
[M+NH4]+ 294.13090 154.3
[M+K]+ 315.06024 155.0
[M+H-H2O]+ 259.09434 129.7
[M+HCOO]- 321.09528 156.0
[M+CH3COO]- 335.11093 223.7
[M+Na-2H]- 297.07175 152.9
[M]+ 276.09653 141.2
[M]- 276.09763 141.2
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.