CID 42920712

1087784-06-2

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)O
InChI
InChI=1S/C12H11NO4/c1-6-3-4-8-9(5-6)11(15)13(10(8)14)7(2)12(16)17/h3-5,7H,1-2H3,(H,16,17)
InChIKey
KSKGZHWNQKLAJL-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 147.6
[M+Na]+ 256.05802 157.3
[M-H]- 232.06152 150.4
[M+NH4]+ 251.10262 166.8
[M+K]+ 272.03196 154.7
[M+H-H2O]+ 216.06606 142.3
[M+HCOO]- 278.06700 167.0
[M+CH3COO]- 292.08265 190.5
[M+Na-2H]- 254.04347 148.7
[M]+ 233.06825 149.4
[M]- 233.06935 149.4
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

No patent data available for this compound.