CID 16228469

923806-94-4

Structural Information

Molecular Formula
C15H15NO4
SMILES
CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)O
InChI
InChI=1S/C15H15NO4/c1-9-7-12(15(17)18)10(2)16(9)11-3-4-13-14(8-11)20-6-5-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKey
JEPFDDTWSVDERC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 160.4
[M+Na]+ 296.08932 173.6
[M+NH4]+ 291.13392 167.7
[M+K]+ 312.06326 170.7
[M-H]- 272.09282 165.5
[M+Na-2H]- 294.07477 164.3
[M]+ 273.09955 163.7
[M]- 273.10065 163.7
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.