CID 704835

1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

Structural Information

Molecular Formula
C15H15NO4
SMILES
C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H15NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey
VXTXIRMTGIZWEI-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

273.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 161.5
[M+Na]+ 296.08932 172.2
[M+NH4]+ 291.13392 168.7
[M+K]+ 312.06326 168.4
[M-H]- 272.09282 163.4
[M+Na-2H]- 294.07477 165.3
[M]+ 273.09955 163.2
[M]- 273.10065 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe