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]+ 241.097146 148.6
[M+Na]+ 263.079088 158.7
[M-H]- 239.082594 154.0
[M+NH4]+ 258.123693 161.7
[M+K]+ 279.053028 156.1
[M+H-H2O]+ 223.087130 131.8
[M+HCOO]- 285.088071 165.2
[M+CH3COO]- 299.103721 205.2
[M+Na-2H]- 261.064536 152.3
[M]+ 240.08932142 151.7
[M]- 240.09041858 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.