CID 2865221

312498-19-4

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H13NO5/c16-12-10-4-3-8(14(18)19)6-11(10)13(17)15(12)7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2,(H,18,19)
InChIKey
KOVZEKMVDOCSHP-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 158.8
[M+Na]+ 298.06860 166.7
[M-H]- 274.07210 164.9
[M+NH4]+ 293.11320 176.1
[M+K]+ 314.04254 164.8
[M+H-H2O]+ 258.07664 153.3
[M+HCOO]- 320.07758 177.0
[M+CH3COO]- 334.09323 194.9
[M+Na-2H]- 296.05405 158.5
[M]+ 275.07883 159.4
[M]- 275.07993 159.4
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

No patent data available for this compound.