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 167.3
[M+Na]+ 340.07916 173.0
[M-H]- 316.08266 173.3
[M+NH4]+ 335.12376 178.1
[M+K]+ 356.05310 174.5
[M+H-H2O]+ 300.08720 156.0
[M+HCOO]- 362.08814 185.2
[M+CH3COO]- 376.10379 206.5
[M+Na-2H]- 338.06461 168.2
[M]+ 317.08939 179.6
[M]- 317.09049 179.6
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.