CID 18411

3130-75-4

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O
InChI
InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
InChIKey
HMKSXJBFBVGLJJ-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

296
Patents

233.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 148.5
[M+Na]+ 256.058018 157.5
[M-H]- 232.061524 150.7
[M+NH4]+ 251.102623 167.3
[M+K]+ 272.031958 154.3
[M+H-H2O]+ 216.066060 142.6
[M+HCOO]- 278.067001 168.8
[M+CH3COO]- 292.082651 188.3
[M+Na-2H]- 254.043466 151.3
[M]+ 233.06825142 150.4
[M]- 233.06934858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe