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]+ 216.07675 147.8
[M+Na]+ 238.05869 158.8
[M-H]- 214.06219 148.8
[M+NH4]+ 233.10329 164.0
[M+K]+ 254.03263 152.6
[M+H-H2O]+ 198.06673 134.3
[M+HCOO]- 260.06767 162.9
[M+CH3COO]- 274.08332 192.8
[M+Na-2H]- 236.04414 150.6
[M]+ 215.06892 139.0
[M]- 215.07002 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