CID 162341528

2248275-31-0

Structural Information

Molecular Formula
C16H15NO6
SMILES
CCOC(=O)C1(CCC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15NO6/c1-2-22-14(20)16(8-5-9-16)15(21)23-17-12(18)10-6-3-4-7-11(10)13(17)19/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey
NGYDJVLTEKXQDM-UHFFFAOYSA-N
Compound name
1-O'-(1,3-dioxoisoindol-2-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09722 173.0
[M+Na]+ 340.07916 177.7
[M+NH4]+ 335.12376 175.4
[M+K]+ 356.05310 175.7
[M-H]- 316.08266 169.8
[M+Na-2H]- 338.06461 173.7
[M]+ 317.08939 171.2
[M]- 317.09049 171.2
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.