CID 3071541

2-azido-4,6-dicyanomethoxy-s-triazine

Structural Information

Molecular Formula
C7H4N8O2
SMILES
C(C#N)OC1=NC(=NC(=N1)N=[N+]=[N-])OCC#N
InChI
InChI=1S/C7H4N8O2/c8-1-3-16-6-11-5(14-15-10)12-7(13-6)17-4-2-9/h3-4H2
InChIKey
PYGIKSXPFWWDPQ-UHFFFAOYSA-N
Compound name
2-[[4-azido-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04572 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05300 153.5
[M+Na]+ 255.03494 160.5
[M-H]- 231.03844 153.8
[M+NH4]+ 250.07954 161.1
[M+K]+ 271.00888 157.7
[M+H-H2O]+ 215.04298 137.3
[M+HCOO]- 277.04392 167.6
[M+CH3COO]- 291.05957 221.5
[M+Na-2H]- 253.02039 159.4
[M]+ 232.04517 145.1
[M]- 232.04627 145.1
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.