CID 774369

14463-79-7

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC(C)(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO4/c1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15/h3-6H,1-2H3,(H,16,17)
InChIKey
FPOSIYHINNEBSP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

233.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.6
[M+Na]+ 256.05802 158.0
[M-H]- 232.06152 151.2
[M+NH4]+ 251.10262 167.6
[M+K]+ 272.03196 155.4
[M+H-H2O]+ 216.06606 143.7
[M+HCOO]- 278.06700 167.4
[M+CH3COO]- 292.08265 188.6
[M+Na-2H]- 254.04347 152.5
[M]+ 233.06825 150.2
[M]- 233.06935 150.2
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