CID 33726737

2241141-50-2

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=CC(=CC(=N1)C)CCC(=O)O
InChI
InChI=1S/C10H13NO2/c1-7-5-9(3-4-10(12)13)6-8(2)11-7/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKey
HONKTFXLHSFHDP-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.8
[M+Na]+ 202.08386 146.3
[M-H]- 178.08736 139.2
[M+NH4]+ 197.12846 156.4
[M+K]+ 218.05780 144.1
[M+H-H2O]+ 162.09190 131.8
[M+HCOO]- 224.09284 159.0
[M+CH3COO]- 238.10849 180.6
[M+Na-2H]- 200.06931 142.5
[M]+ 179.09409 139.1
[M]- 179.09519 139.1
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

No patent data available for this compound.