CID 12243769

Ethyl 5-methylpyridine-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.2
[M+Na]+ 188.06820 141.7
[M-H]- 164.07170 135.8
[M+NH4]+ 183.11280 152.8
[M+K]+ 204.04214 140.6
[M+H-H2O]+ 148.07624 126.8
[M+HCOO]- 210.07718 156.2
[M+CH3COO]- 224.09283 178.4
[M+Na-2H]- 186.05365 139.6
[M]+ 165.07843 135.5
[M]- 165.07953 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

literature stripe

Patent stripe

patents stripe