CID 146075398

1392277-06-3

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1CC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H9NO4/c14-10-8-3-1-2-4-9(8)11(15)13(10)17-12(16)7-5-6-7/h1-4,7H,5-6H2
InChIKey
BDRFYZKZLYMXLC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.060436 151.0
[M+Na]+ 254.042378 162.3
[M-H]- 230.045884 158.5
[M+NH4]+ 249.086983 165.6
[M+K]+ 270.016318 158.1
[M+H-H2O]+ 214.050420 144.6
[M+HCOO]- 276.051361 172.7
[M+CH3COO]- 290.067011 191.7
[M+Na-2H]- 252.027826 154.1
[M]+ 231.05261142 155.7
[M]- 231.05370858 155.7
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