CID 121003044

Ethyl 2-methyl-2-(4-methylpyridin-2-yl)propanoate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC(=O)C(C)(C)C1=NC=CC(=C1)C
InChI
InChI=1S/C12H17NO2/c1-5-15-11(14)12(3,4)10-8-9(2)6-7-13-10/h6-8H,5H2,1-4H3
InChIKey
YWHGVXSCPXKKFU-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-(4-methylpyridin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.9
[M+Na]+ 230.11515 154.6
[M-H]- 206.11865 149.4
[M+NH4]+ 225.15975 165.0
[M+K]+ 246.08909 153.2
[M+H-H2O]+ 190.12319 140.7
[M+HCOO]- 252.12413 167.4
[M+CH3COO]- 266.13978 187.8
[M+Na-2H]- 228.10060 152.5
[M]+ 207.12538 149.9
[M]- 207.12648 149.9
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