CID 3042743

Brn 0408901

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)OC)CC(=O)O
InChI
InChI=1S/C14H15NO3/c1-10-3-4-12(9-14(16)17)15(10)11-5-7-13(18-2)8-6-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKey
SKIWLVPFPLMEHI-UHFFFAOYSA-N
Compound name
2-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 155.6
[M+Na]+ 268.09442 168.1
[M+NH4]+ 263.13902 162.7
[M+K]+ 284.06836 164.2
[M-H]- 244.09792 157.6
[M+Na-2H]- 266.07987 161.8
[M]+ 245.10465 157.8
[M]- 245.10575 157.8
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.