CID 43614

61356-07-8

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=CC=N3
InChI
InChI=1S/C13H12N2O2/c16-12-9-5-1-2-6-10(9)13(17)15(12)11-7-3-4-8-14-11/h3-4,7-8H,1-2,5-6H2
InChIKey
QPBUAWLNGZJUEM-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.7
[M+Na]+ 251.07909 158.2
[M-H]- 227.08259 154.6
[M+NH4]+ 246.12369 167.7
[M+K]+ 267.05303 154.1
[M+H-H2O]+ 211.08713 141.4
[M+HCOO]- 273.08807 168.8
[M+CH3COO]- 287.10372 162.0
[M+Na-2H]- 249.06454 153.3
[M]+ 228.08932 147.2
[M]- 228.09042 147.2
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.