CID 67294972

1890573-14-4

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1C(C1N2C(=O)C3=CC=CC=C3C2=O)C(=O)O
InChI
InChI=1S/C12H9NO4/c14-10-6-3-1-2-4-7(6)11(15)13(10)9-5-8(9)12(16)17/h1-4,8-9H,5H2,(H,16,17)
InChIKey
FSSYOKZSNSKCIB-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 149.4
[M+Na]+ 254.04238 161.1
[M-H]- 230.04588 155.9
[M+NH4]+ 249.08698 163.6
[M+K]+ 270.01632 155.9
[M+H-H2O]+ 214.05042 143.6
[M+HCOO]- 276.05136 169.6
[M+CH3COO]- 290.06701 191.2
[M+Na-2H]- 252.02783 151.6
[M]+ 231.05261 152.9
[M]- 231.05371 152.9
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