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 143.4
[M+Na]+ 227.07909 149.7
[M-H]- 203.08259 147.5
[M+NH4]+ 222.12369 161.5
[M+K]+ 243.05303 146.8
[M+H-H2O]+ 187.08713 136.0
[M+HCOO]- 249.08807 166.0
[M+CH3COO]- 263.10372 182.7
[M+Na-2H]- 225.06454 147.6
[M]+ 204.08932 140.5
[M]- 204.09042 140.5
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.