CID 231548

Methyl 6-methylnicotinate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1391
Patents

151.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 128.4
[M+Na]+ 174.052538 137.4
[M-H]- 150.056044 131.3
[M+NH4]+ 169.097143 148.6
[M+K]+ 190.026478 136.6
[M+H-H2O]+ 134.060580 122.3
[M+HCOO]- 196.061521 151.8
[M+CH3COO]- 210.077171 175.4
[M+Na-2H]- 172.037986 135.5
[M]+ 151.06277142 130.4
[M]- 151.06386858 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