CID 206068

42780-41-6

Structural Information

Molecular Formula
C14H15NO2
SMILES
CC1=C(C=C(N1C)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C14H15NO2/c1-10-12(9-14(16)17)8-13(15(10)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKey
YWPRKCLPTAUMNB-UHFFFAOYSA-N
Compound name
2-(1,2-dimethyl-5-phenylpyrrol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.0
[M+Na]+ 252.09950 159.9
[M-H]- 228.10300 155.9
[M+NH4]+ 247.14410 169.2
[M+K]+ 268.07344 156.2
[M+H-H2O]+ 212.10754 144.2
[M+HCOO]- 274.10848 173.1
[M+CH3COO]- 288.12413 189.5
[M+Na-2H]- 250.08495 152.9
[M]+ 229.10973 152.3
[M]- 229.11083 152.3
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.