CID 23009902

1185060-16-5

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CCN(C1)CCOC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H17NO3/c15-13(16)11-5-1-2-6-12(11)17-10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,15,16)
InChIKey
QYJLYFQFEIBTAJ-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

235.12085 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.6
[M+Na]+ 258.11007 164.7
[M+NH4]+ 253.15467 161.6
[M+K]+ 274.08401 160.9
[M-H]- 234.11357 156.0
[M+Na-2H]- 256.09552 159.6
[M]+ 235.12030 156.1
[M]- 235.12140 156.1
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