CID 53621907

3-(2,5-dihydro-1h-pyrrol-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C=CCN1C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H11NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h1-5,8H,6-7H2,(H,13,14)
InChIKey
MGUZZPNZESYTHT-UHFFFAOYSA-N
Compound name
3-(2,5-dihydropyrrol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 141.0
[M+Na]+ 212.06820 153.0
[M+NH4]+ 207.11280 149.1
[M+K]+ 228.04214 149.0
[M-H]- 188.07170 143.3
[M+Na-2H]- 210.05365 148.0
[M]+ 189.07843 143.2
[M]- 189.07953 143.2
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.