CID 2831236

2-(pyridin-3-yl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CN=CC=C4
InChI
InChI=1S/C14H12N2O2/c17-13-11-8-3-4-9(6-8)12(11)14(18)16(13)10-2-1-5-15-7-10/h1-5,7-9,11-12H,6H2
InChIKey
FRJLMKLXPWNZOS-UHFFFAOYSA-N
Compound name
4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

240.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 153.7
[M+Na]+ 263.079088 163.9
[M-H]- 239.082594 159.4
[M+NH4]+ 258.123693 176.7
[M+K]+ 279.053028 159.9
[M+H-H2O]+ 223.087130 147.9
[M+HCOO]- 285.088071 173.7
[M+CH3COO]- 299.103721 166.9
[M+Na-2H]- 261.064536 154.0
[M]+ 240.08932142 154.7
[M]- 240.09041858 154.7
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.