CID 704835

126812-30-4

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

17
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 160.1
[M+Na]+ 296.08932 166.5
[M-H]- 272.09282 165.9
[M+NH4]+ 291.13392 177.3
[M+K]+ 312.06326 163.5
[M+H-H2O]+ 256.09736 152.6
[M+HCOO]- 318.09830 178.0
[M+CH3COO]- 332.11395 196.2
[M+Na-2H]- 294.07477 161.0
[M]+ 273.09955 158.0
[M]- 273.10065 158.0
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