CID 18989512

4-(2-oxo-1,3-diazinan-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1CNC(=O)N(C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H11N3O/c12-8-9-2-4-10(5-3-9)14-7-1-6-13-11(14)15/h2-5H,1,6-7H2,(H,13,15)
InChIKey
KOHLNECAEDCZHU-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-diazinan-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 149.0
[M+Na]+ 224.07943 161.1
[M+NH4]+ 219.12403 153.2
[M+K]+ 240.05337 151.4
[M-H]- 200.08293 144.0
[M+Na-2H]- 222.06488 153.0
[M]+ 201.08966 148.3
[M]- 201.09076 148.3
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

patents stripe