CID 82046072

4-(pyrrolidin-3-yloxy)benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1CNCC1OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO3/c13-11(14)8-1-3-9(4-2-8)15-10-5-6-12-7-10/h1-4,10,12H,5-7H2,(H,13,14)
InChIKey
BVDYXXTWPBHIDM-UHFFFAOYSA-N
Compound name
4-pyrrolidin-3-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.08954 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.8
[M+Na]+ 230.078758 150.4
[M-H]- 206.082264 147.1
[M+NH4]+ 225.123363 162.2
[M+K]+ 246.052698 147.4
[M+H-H2O]+ 190.086800 137.9
[M+HCOO]- 252.087741 163.6
[M+CH3COO]- 266.103391 178.4
[M+Na-2H]- 228.064206 147.1
[M]+ 207.08899142 140.8
[M]- 207.09008858 140.8
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