CID 10798994

2-[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)oxy]acetic acid

Structural Information

Molecular Formula
C10H7NO5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCC(=O)O
InChI
InChI=1S/C10H7NO5/c12-8(13)5-16-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey
STDDDVARCIVORC-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

221.03242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.039696 141.5
[M+Na]+ 244.021638 151.2
[M-H]- 220.025144 144.1
[M+NH4]+ 239.066243 160.8
[M+K]+ 259.995578 149.2
[M+H-H2O]+ 204.029680 135.8
[M+HCOO]- 266.030621 162.7
[M+CH3COO]- 280.046271 184.5
[M+Na-2H]- 242.007086 145.6
[M]+ 221.03187142 144.2
[M]- 221.03296858 144.2
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