CID 11542811

2361634-93-5

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=NC=CC(=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
HHUNWJWOJPWLNK-UHFFFAOYSA-N
Compound name
methyl 2-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.4
[M+Na]+ 174.05254 137.4
[M-H]- 150.05604 131.3
[M+NH4]+ 169.09714 148.6
[M+K]+ 190.02648 136.6
[M+H-H2O]+ 134.06058 122.3
[M+HCOO]- 196.06152 151.8
[M+CH3COO]- 210.07717 175.4
[M+Na-2H]- 172.03799 135.5
[M]+ 151.06277 130.4
[M]- 151.06387 130.4
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