CID 21666

N-butyl-1-methyl-1,2,5,6-tetrahydronicotinate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CCCCOC(=O)C1=CCCN(C1)C
InChI
InChI=1S/C11H19NO2/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10/h6H,3-5,7-9H2,1-2H3
InChIKey
FPSVFGKQHLLPOQ-UHFFFAOYSA-N
Compound name
butyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.2
[M+Na]+ 220.13081 151.7
[M-H]- 196.13431 147.6
[M+NH4]+ 215.17541 164.3
[M+K]+ 236.10475 150.6
[M+H-H2O]+ 180.13885 139.4
[M+HCOO]- 242.13979 165.6
[M+CH3COO]- 256.15544 185.2
[M+Na-2H]- 218.11626 149.5
[M]+ 197.14104 146.4
[M]- 197.14214 146.4
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

No patent data available for this compound.