CID 288419

Ethyl 2-(2-methylpyridin-4-yl)acetate hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCOC(=O)CC1=CC(=NC=C1)C
InChI
InChI=1S/C10H13NO2/c1-3-13-10(12)7-9-4-5-11-8(2)6-9/h4-6H,3,7H2,1-2H3
InChIKey
CXFBWADZFNIQMP-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-4-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 137.9
[M+Na]+ 202.083858 145.9
[M-H]- 178.087364 140.3
[M+NH4]+ 197.128463 156.9
[M+K]+ 218.057798 144.6
[M+H-H2O]+ 162.091900 131.3
[M+HCOO]- 224.092841 160.6
[M+CH3COO]- 238.108491 181.4
[M+Na-2H]- 200.069306 143.8
[M]+ 179.09409142 140.6
[M]- 179.09518858 140.6
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