CID 120443

1,3,5-triazine, 2,4,6-tris(cyanomethoxy)-

Structural Information

Molecular Formula
C9H6N6O3
SMILES
C(C#N)OC1=NC(=NC(=N1)OCC#N)OCC#N
InChI
InChI=1S/C9H6N6O3/c10-1-4-16-7-13-8(17-5-2-11)15-9(14-7)18-6-3-12/h4-6H2
InChIKey
GBJMWHBPMHYWGE-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

246.05014 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05742 154.9
[M+Na]+ 269.03936 161.0
[M-H]- 245.04286 155.6
[M+NH4]+ 264.08396 159.4
[M+K]+ 285.01330 160.6
[M+H-H2O]+ 229.04740 139.8
[M+HCOO]- 291.04834 159.2
[M+CH3COO]- 305.06399 237.1
[M+Na-2H]- 267.02481 155.2
[M]+ 246.04959 148.5
[M]- 246.05069 148.5
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

patents stripe