CID 887709

356575-75-2

Structural Information

Molecular Formula
C14H9NO5
SMILES
C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H9NO5/c16-12-10-4-3-8(14(18)19)6-11(10)13(17)15(12)7-9-2-1-5-20-9/h1-6H,7H2,(H,18,19)
InChIKey
VALJDQQNBSEPEW-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

271.04807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 156.0
[M+Na]+ 294.03729 166.0
[M-H]- 270.04079 163.0
[M+NH4]+ 289.08189 173.6
[M+K]+ 310.01123 163.8
[M+H-H2O]+ 254.04533 150.5
[M+HCOO]- 316.04627 177.1
[M+CH3COO]- 330.06192 194.1
[M+Na-2H]- 292.02274 157.6
[M]+ 271.04752 159.5
[M]- 271.04862 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe