CID 1519374

(3s)-3-(pyridin-4-yl)butanoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C[C@@H](CC(=O)O)C1=CC=NC=C1
InChI
InChI=1S/C9H11NO2/c1-7(6-9(11)12)8-2-4-10-5-3-8/h2-5,7H,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKey
KYSQGRVBIOODEO-ZETCQYMHSA-N
Compound name
(3S)-3-pyridin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.5
[M+Na]+ 188.068198 141.2
[M-H]- 164.071704 135.3
[M+NH4]+ 183.112803 152.8
[M+K]+ 204.042138 139.7
[M+H-H2O]+ 148.076240 128.2
[M+HCOO]- 210.077181 155.0
[M+CH3COO]- 224.092831 176.2
[M+Na-2H]- 186.053646 139.9
[M]+ 165.07843142 134.0
[M]- 165.07952858 134.0
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.