CID 162341542

2240185-64-0

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC1(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H11NO4/c1-13(6-7-13)12(17)18-14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5H,6-7H2,1H3
InChIKey
VIPSRDJOEPQYAM-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 155.8
[M+Na]+ 268.05802 167.4
[M-H]- 244.06152 163.4
[M+NH4]+ 263.10262 171.8
[M+K]+ 284.03196 163.9
[M+H-H2O]+ 228.06606 150.2
[M+HCOO]- 290.06700 176.8
[M+CH3COO]- 304.08265 194.1
[M+Na-2H]- 266.04347 159.5
[M]+ 245.06825 161.3
[M]- 245.06935 161.3
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.