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]+ 228.087976 166.4
[M+Na]+ 250.069918 173.5
[M-H]- 226.073424 169.3
[M+NH4]+ 245.114523 172.7
[M+K]+ 266.043858 172.0
[M+H-H2O]+ 210.077960 152.9
[M+HCOO]- 272.078901 171.4
[M+CH3COO]- 286.094551 238.6
[M+Na-2H]- 248.055366 164.3
[M]+ 227.08015142 158.6
[M]- 227.08124858 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.