CID 2770878

18627-60-6

Structural Information

Molecular Formula
C11H8N2O6
SMILES
CC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O6/c1-5(11(16)17)12-9(14)6-3-2-4-7(13(18)19)8(6)10(12)15/h2-5H,1H3,(H,16,17)
InChIKey
XQLVZKDDGLOAII-UHFFFAOYSA-N
Compound name
2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.03824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04552 151.2
[M+Na]+ 287.02746 159.2
[M-H]- 263.03096 154.0
[M+NH4]+ 282.07206 167.6
[M+K]+ 303.00140 153.3
[M+H-H2O]+ 247.03550 150.1
[M+HCOO]- 309.03644 171.8
[M+CH3COO]- 323.05209 188.2
[M+Na-2H]- 285.01291 155.1
[M]+ 264.03769 151.0
[M]- 264.03879 151.0
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