CID 164510787

2248333-42-6

Structural Information

Molecular Formula
C14H11NO6
SMILES
COC(=O)C1(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H11NO6/c1-20-12(18)14(6-7-14)13(19)21-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,6-7H2,1H3
InChIKey
FCJUOFDRXPZMTD-UHFFFAOYSA-N
Compound name
1-O'-(1,3-dioxoisoindol-2-yl) 1-O-methyl cyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05862 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06590 164.8
[M+Na]+ 312.04784 175.7
[M-H]- 288.05134 172.3
[M+NH4]+ 307.09244 178.8
[M+K]+ 328.02178 172.7
[M+H-H2O]+ 272.05588 159.4
[M+HCOO]- 334.05682 184.9
[M+CH3COO]- 348.07247 200.6
[M+Na-2H]- 310.03329 167.3
[M]+ 289.05807 172.2
[M]- 289.05917 172.2
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.