CID 121553117

1-[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1CC(C1)(CN2C(=O)C3=CC=CC=C3C2=O)C#N
InChI
InChI=1S/C14H12N2O2/c15-8-14(6-3-7-14)9-16-12(17)10-4-1-2-5-11(10)13(16)18/h1-2,4-5H,3,6-7,9H2
InChIKey
BHSHSOPGIOCIQH-UHFFFAOYSA-N
Compound name
1-[(1,3-dioxoisoindol-2-yl)methyl]cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 154.6
[M+Na]+ 263.07909 162.0
[M+NH4]+ 258.12369 156.8
[M+K]+ 279.05303 154.1
[M-H]- 239.08259 147.2
[M+Na-2H]- 261.06454 155.9
[M]+ 240.08932 151.7
[M]- 240.09042 151.7
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.