CID 83381105

4-[(3,4-dihydro-2h-pyrrol-5-yl)amino]benzoic acid

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CC(=NC1)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12N2O2/c14-11(15)8-3-5-9(6-4-8)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)(H,14,15)
InChIKey
DRNRLINOMGTASW-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 145.1
[M+Na]+ 227.07909 155.7
[M+NH4]+ 222.12369 152.6
[M+K]+ 243.05303 152.1
[M-H]- 203.08259 147.5
[M+Na-2H]- 225.06454 151.7
[M]+ 204.08932 146.9
[M]- 204.09042 146.9
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.

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No patent data available for this compound.