CID 2741447

2-phenyl-2-(1h-pyrrol-1-yl)acetic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C(C=C1)C(C(=O)O)N2C=CC=C2
InChI
InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)
InChIKey
FNRJAIIHCKGTCV-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyrrol-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

201.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 143.4
[M+Na]+ 224.068198 149.9
[M-H]- 200.071704 147.5
[M+NH4]+ 219.112803 161.6
[M+K]+ 240.042138 147.2
[M+H-H2O]+ 184.076240 136.1
[M+HCOO]- 246.077181 165.1
[M+CH3COO]- 260.092831 180.9
[M+Na-2H]- 222.053646 147.1
[M]+ 201.07843142 142.1
[M]- 201.07952858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe