CID 23366730

2-amino-5-(pyrrolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CCN(C1)C2=CC(=C(C=C2)N)C(=O)O
InChI
InChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChIKey
PXDJWGTVWILAIK-UHFFFAOYSA-N
Compound name
2-amino-5-pyrrolidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

206.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.2
[M+Na]+ 229.09475 151.4
[M-H]- 205.09825 148.8
[M+NH4]+ 224.13935 163.1
[M+K]+ 245.06869 148.4
[M+H-H2O]+ 189.10279 138.1
[M+HCOO]- 251.10373 165.7
[M+CH3COO]- 265.11938 184.3
[M+Na-2H]- 227.08020 146.7
[M]+ 206.10498 140.4
[M]- 206.10608 140.4
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