CID 3039308

Brn 0488232

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC1=CC(=C(N1C2=CC=CC=C2OC)C)CC(=O)O
InChI
InChI=1S/C15H17NO3/c1-10-8-12(9-15(17)18)11(2)16(10)13-6-4-5-7-14(13)19-3/h4-8H,9H2,1-3H3,(H,17,18)
InChIKey
XQCMIKAVJGVIEN-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 160.0
[M+Na]+ 282.11007 172.6
[M+NH4]+ 277.15467 166.8
[M+K]+ 298.08401 168.7
[M-H]- 258.11357 162.0
[M+Na-2H]- 280.09552 165.7
[M]+ 259.12030 162.2
[M]- 259.12140 162.2
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.