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]+ 216.07675 146.1
[M+Na]+ 238.05869 156.4
[M-H]- 214.06219 147.8
[M+NH4]+ 233.10329 161.0
[M+K]+ 254.03263 151.2
[M+H-H2O]+ 198.06673 131.6
[M+HCOO]- 260.06767 162.4
[M+CH3COO]- 274.08332 195.5
[M+Na-2H]- 236.04414 148.3
[M]+ 215.06892 138.6
[M]- 215.07002 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.