CID 3016100

Butyl 6-methylpyridine-2-carboxylate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCCCOC(=O)C1=CC=CC(=N1)C
InChI
InChI=1S/C11H15NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
JHBFXWFPYWWMKA-UHFFFAOYSA-N
Compound name
butyl 6-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.6
[M+Na]+ 216.099498 150.2
[M-H]- 192.103004 144.8
[M+NH4]+ 211.144103 161.0
[M+K]+ 232.073438 148.6
[M+H-H2O]+ 176.107540 135.8
[M+HCOO]- 238.108481 164.9
[M+CH3COO]- 252.124131 184.4
[M+Na-2H]- 214.084946 147.9
[M]+ 193.10973142 145.6
[M]- 193.11082858 145.6
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