CID 25181043

439931-53-0

Structural Information

Molecular Formula
C12H9NO5
SMILES
COC(=O)C1=C(C=C(C=C1)N2C(=O)C=CC2=O)O
InChI
InChI=1S/C12H9NO5/c1-18-12(17)8-3-2-7(6-9(8)14)13-10(15)4-5-11(13)16/h2-6,14H,1H3
InChIKey
XNDKLJZOQKGKNP-UHFFFAOYSA-N
Compound name
methyl 4-(2,5-dioxopyrrol-1-yl)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.04807 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05535 149.0
[M+Na]+ 270.03729 158.8
[M-H]- 246.04079 154.3
[M+NH4]+ 265.08189 166.3
[M+K]+ 286.01123 156.4
[M+H-H2O]+ 230.04533 142.5
[M+HCOO]- 292.04627 171.2
[M+CH3COO]- 306.06192 189.3
[M+Na-2H]- 268.02274 150.6
[M]+ 247.04752 151.4
[M]- 247.04862 151.4
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

No patent data available for this compound.