CID 703431

40313-95-9

Structural Information

Molecular Formula
C11H9NO4
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)O
InChI
InChI=1S/C11H9NO4/c1-6-2-3-7-8(4-6)11(16)12(10(7)15)5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey
KKSJTNGNALMJSN-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-dioxoisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

219.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.2
[M+Na]+ 242.04238 153.5
[M-H]- 218.04588 146.0
[M+NH4]+ 237.08698 162.9
[M+K]+ 258.01632 150.7
[M+H-H2O]+ 202.05042 137.9
[M+HCOO]- 264.05136 163.8
[M+CH3COO]- 278.06701 186.5
[M+Na-2H]- 240.02783 145.9
[M]+ 219.05261 145.2
[M]- 219.05371 145.2
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