CID 82046071

2-(pyrrolidin-3-yloxy)benzoicacidhydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1CNCC1OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)15-8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)
InChIKey
LUSVPOVFOXXDAK-UHFFFAOYSA-N
Compound name
2-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 144.8
[M+Na]+ 230.07876 150.4
[M-H]- 206.08226 147.1
[M+NH4]+ 225.12336 162.2
[M+K]+ 246.05270 147.4
[M+H-H2O]+ 190.08680 137.9
[M+HCOO]- 252.08774 163.6
[M+CH3COO]- 266.10339 178.4
[M+Na-2H]- 228.06421 147.1
[M]+ 207.08899 140.8
[M]- 207.09009 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

No patent data available for this compound.