CID 379201

102206-79-1

Structural Information

Molecular Formula
C10H8N6O
SMILES
CN(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)OC
InChI
InChI=1S/C10H8N6O/c1-16(17-2)10-8(5-13)6(3-11)7(4-12)9(14)15-10/h1-2H3,(H2,14,15)
InChIKey
WXKUOSCGHLKUGU-UHFFFAOYSA-N
Compound name
2-amino-6-[methoxy(methyl)amino]pyridine-3,4,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07596 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08324 166.0
[M+Na]+ 251.06518 172.8
[M-H]- 227.06868 169.1
[M+NH4]+ 246.10978 172.2
[M+K]+ 267.03912 172.0
[M+H-H2O]+ 211.07322 152.2
[M+HCOO]- 273.07416 171.8
[M+CH3COO]- 287.08981 240.3
[M+Na-2H]- 249.05063 164.2
[M]+ 228.07541 158.4
[M]- 228.07651 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.