CID 43316696

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CNC=C3C(=O)O
InChI
InChI=1S/C13H11NO4/c15-13(16)10-7-14-6-9(10)8-1-2-11-12(5-8)18-4-3-17-11/h1-2,5-7,14H,3-4H2,(H,15,16)
InChIKey
XKPVROAHJNFQAE-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 152.2
[M+Na]+ 268.05802 164.5
[M+NH4]+ 263.10262 159.5
[M+K]+ 284.03196 162.0
[M-H]- 244.06152 156.7
[M+Na-2H]- 266.04347 156.5
[M]+ 245.06825 155.1
[M]- 245.06935 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.