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]+ 229.097146 149.7
[M+Na]+ 251.079088 158.2
[M-H]- 227.082594 154.6
[M+NH4]+ 246.123693 167.7
[M+K]+ 267.053028 154.1
[M+H-H2O]+ 211.087130 141.4
[M+HCOO]- 273.088071 168.8
[M+CH3COO]- 287.103721 162.0
[M+Na-2H]- 249.064536 153.3
[M]+ 228.08932142 147.2
[M]- 228.09041858 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.