CID 165725508

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 4-cyanooxane-4-carboxylate

Structural Information

Molecular Formula
C15H12N2O5
SMILES
C1COCCC1(C#N)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12N2O5/c16-9-15(5-7-21-8-6-15)14(20)22-17-12(18)10-3-1-2-4-11(10)13(17)19/h1-4H,5-8H2
InChIKey
RTLUUUVYLVJMSE-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 4-cyanooxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.081896 164.6
[M+Na]+ 323.063838 174.9
[M-H]- 299.067344 169.7
[M+NH4]+ 318.108443 179.4
[M+K]+ 339.037778 169.8
[M+H-H2O]+ 283.071880 150.9
[M+HCOO]- 345.072821 178.6
[M+CH3COO]- 359.088471 209.7
[M+Na-2H]- 321.049286 167.4
[M]+ 300.07407142 159.6
[M]- 300.07516858 159.6
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

No patent data available for this compound.