CID 47002991

3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H9N3O2/c1-11(9(15)13-10(16)14-11)8-4-2-3-7(5-8)6-12/h2-5H,1H3,(H2,13,14,15,16)
InChIKey
WUIGRSIAJLDKLZ-UHFFFAOYSA-N
Compound name
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 147.8
[M+Na]+ 238.058688 158.8
[M-H]- 214.062194 148.8
[M+NH4]+ 233.103293 164.0
[M+K]+ 254.032628 152.6
[M+H-H2O]+ 198.066730 134.3
[M+HCOO]- 260.067671 162.9
[M+CH3COO]- 274.083321 192.8
[M+Na-2H]- 236.044136 150.6
[M]+ 215.06892142 139.0
[M]- 215.07001858 139.0
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