CID 56547

Ethyl 1,4-dimethyl-1,2,5,6-tetrahydronicotinate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCOC(=O)C1=C(CCN(C1)C)C
InChI
InChI=1S/C10H17NO2/c1-4-13-10(12)9-7-11(3)6-5-8(9)2/h4-7H2,1-3H3
InChIKey
BEIWNDASCSATED-UHFFFAOYSA-N
Compound name
ethyl 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 140.8
[M+Na]+ 206.11515 147.7
[M-H]- 182.11865 142.9
[M+NH4]+ 201.15975 159.8
[M+K]+ 222.08909 146.9
[M+H-H2O]+ 166.12319 134.5
[M+HCOO]- 228.12413 160.6
[M+CH3COO]- 242.13978 183.3
[M+Na-2H]- 204.10060 144.0
[M]+ 183.12538 141.0
[M]- 183.12648 141.0
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

patents stripe