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-methyl-2-pyridinyl)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]+ 208.133206 146.9
[M+Na]+ 230.115148 154.6
[M-H]- 206.118654 149.4
[M+NH4]+ 225.159753 165.0
[M+K]+ 246.089088 153.2
[M+H-H2O]+ 190.123190 140.7
[M+HCOO]- 252.124131 167.4
[M+CH3COO]- 266.139781 187.8
[M+Na-2H]- 228.100596 152.5
[M]+ 207.12538142 149.9
[M]- 207.12647858 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