CID 688550

5203-11-2

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO4/c1-2-9(12(16)17)13-10(14)7-5-3-4-6-8(7)11(13)15/h3-6,9H,2H2,1H3,(H,16,17)/t9-/m0/s1
InChIKey
URWCIQUEFSJOJG-VIFPVBQESA-N
Compound name
(2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

233.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 150.1
[M+Na]+ 256.05802 160.2
[M+NH4]+ 251.10262 156.1
[M+K]+ 272.03196 158.1
[M-H]- 232.06152 149.0
[M+Na-2H]- 254.04347 152.1
[M]+ 233.06825 150.7
[M]- 233.06935 150.7
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