CID 3063140

Brn 0249542

Structural Information

Molecular Formula
C11H9N5O
SMILES
CC(C)OC1=C(C(=C(C(=N1)N)C#N)C#N)C#N
InChI
InChI=1S/C11H9N5O/c1-6(2)17-11-9(5-14)7(3-12)8(4-13)10(15)16-11/h6H,1-2H3,(H2,15,16)
InChIKey
KEUYHNCFTDJTHU-UHFFFAOYSA-N
Compound name
2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 166.4
[M+Na]+ 250.06992 173.5
[M-H]- 226.07342 169.3
[M+NH4]+ 245.11452 172.7
[M+K]+ 266.04386 172.0
[M+H-H2O]+ 210.07796 152.9
[M+HCOO]- 272.07890 171.4
[M+CH3COO]- 286.09455 238.6
[M+Na-2H]- 248.05537 164.3
[M]+ 227.08015 158.6
[M]- 227.08125 158.6
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.