CID 12243768

Ethyl 3-methylpyridine-2-carboxylate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCOC(=O)C1=C(C=CC=N1)C
InChI
InChI=1S/C9H11NO2/c1-3-12-9(11)8-7(2)5-4-6-10-8/h4-6H,3H2,1-2H3
InChIKey
VKKVFRWNHZHHQU-UHFFFAOYSA-N
Compound name
ethyl 3-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

165.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 141.7
[M-H]- 164.071704 135.8
[M+NH4]+ 183.112803 152.8
[M+K]+ 204.042138 140.6
[M+H-H2O]+ 148.076240 126.8
[M+HCOO]- 210.077181 156.2
[M+CH3COO]- 224.092831 178.4
[M+Na-2H]- 186.053646 139.6
[M]+ 165.07843142 135.5
[M]- 165.07952858 135.5
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