CID 16227454

2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1C(=O)N(C(=O)N1)CC2=CC=CC=C2C#N
InChI
InChI=1S/C11H9N3O2/c12-5-8-3-1-2-4-9(8)7-14-10(15)6-13-11(14)16/h1-4H,6-7H2,(H,13,16)
InChIKey
CSMCQQCRZAHGAJ-UHFFFAOYSA-N
Compound name
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 146.1
[M+Na]+ 238.058688 156.4
[M-H]- 214.062194 147.8
[M+NH4]+ 233.103293 161.0
[M+K]+ 254.032628 151.2
[M+H-H2O]+ 198.066730 131.6
[M+HCOO]- 260.067671 162.4
[M+CH3COO]- 274.083321 195.5
[M+Na-2H]- 236.044136 148.3
[M]+ 215.06892142 138.6
[M]- 215.07001858 138.6
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.