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

88
Patents

221.03242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03970 141.5
[M+Na]+ 244.02164 151.2
[M-H]- 220.02514 144.1
[M+NH4]+ 239.06624 160.8
[M+K]+ 259.99558 149.2
[M+H-H2O]+ 204.02968 135.8
[M+HCOO]- 266.03062 162.7
[M+CH3COO]- 280.04627 184.5
[M+Na-2H]- 242.00709 145.6
[M]+ 221.03187 144.2
[M]- 221.03297 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