CID 934175

1-(4-methoxyphenyl)-2,5-dimethyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)O
InChI
InChI=1S/C14H15NO3/c1-9-8-13(14(16)17)10(2)15(9)11-4-6-12(18-3)7-5-11/h4-8H,1-3H3,(H,16,17)
InChIKey
JPCJXGCPGGBFCU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.5
[M+Na]+ 268.09442 163.1
[M-H]- 244.09792 158.8
[M+NH4]+ 263.13902 171.3
[M+K]+ 284.06836 160.0
[M+H-H2O]+ 228.10246 146.8
[M+HCOO]- 290.10340 175.7
[M+CH3COO]- 304.11905 192.8
[M+Na-2H]- 266.07987 154.7
[M]+ 245.10465 156.6
[M]- 245.10575 156.6
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

patents stripe