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]+ 205.097146 143.4
[M+Na]+ 227.079088 149.7
[M-H]- 203.082594 147.5
[M+NH4]+ 222.123693 161.5
[M+K]+ 243.053028 146.8
[M+H-H2O]+ 187.087130 136.0
[M+HCOO]- 249.088071 166.0
[M+CH3COO]- 263.103721 182.7
[M+Na-2H]- 225.064536 147.6
[M]+ 204.08932142 140.5
[M]- 204.09041858 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.