CID 11242386

2-(6-oxoheptyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H17NO3/c1-11(17)7-3-2-6-10-16-14(18)12-8-4-5-9-13(12)15(16)19/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKey
IIZCUXFEKAXMAG-UHFFFAOYSA-N
Compound name
2-(6-oxoheptyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

259.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 159.2
[M+Na]+ 282.11007 167.4
[M-H]- 258.11357 162.2
[M+NH4]+ 277.15467 177.8
[M+K]+ 298.08401 163.8
[M+H-H2O]+ 242.11811 152.6
[M+HCOO]- 304.11905 179.8
[M+CH3COO]- 318.13470 197.6
[M+Na-2H]- 280.09552 160.7
[M]+ 259.12030 162.6
[M]- 259.12140 162.6
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

patents stripe