CID 138742516

1993468-92-0

Structural Information

Molecular Formula
C16H13NO6
SMILES
COC(=O)C12CC(C1)(C2)C(=O)ON3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H13NO6/c1-22-13(20)15-6-16(7-15,8-15)14(21)23-17-11(18)9-4-2-3-5-10(9)12(17)19/h2-5H,6-8H2,1H3
InChIKey
FVKZPBKPZRXTKW-UHFFFAOYSA-N
Compound name
3-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.07428 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08156 180.4
[M+Na]+ 338.06350 182.9
[M-H]- 314.06700 185.0
[M+NH4]+ 333.10810 182.4
[M+K]+ 354.03744 188.7
[M+H-H2O]+ 298.07154 165.7
[M+HCOO]- 360.07248 190.0
[M+CH3COO]- 374.08813 226.3
[M+Na-2H]- 336.04895 182.3
[M]+ 315.07373 207.7
[M]- 315.07483 207.7
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

patents stripe