CID 53407721

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 146.1
[M+Na]+ 230.07876 156.0
[M+NH4]+ 225.12336 153.1
[M+K]+ 246.05270 153.1
[M-H]- 206.08226 147.1
[M+Na-2H]- 228.06421 151.1
[M]+ 207.08899 147.4
[M]- 207.09009 147.4
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

No patent data available for this compound.