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

No literature data available for this compound.

Patent stripe

patents stripe