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 151.5
[M+Na]+ 254.04238 164.3
[M+NH4]+ 249.08698 159.0
[M+K]+ 270.01632 162.6
[M-H]- 230.04588 159.3
[M+Na-2H]- 252.02783 157.5
[M]+ 231.05261 156.4
[M]- 231.05371 156.4
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