CID 211818

2-(dimethylamino)ethyl 5-fluoronicotinate

Structural Information

Molecular Formula
C10H13FN2O2
SMILES
CN(C)CCOC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C10H13FN2O2/c1-13(2)3-4-15-10(14)8-5-9(11)7-12-6-8/h5-7H,3-4H2,1-2H3
InChIKey
YMMBHKNLOOIXRY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0961 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10338 144.7
[M+Na]+ 235.08532 152.0
[M-H]- 211.08882 147.1
[M+NH4]+ 230.12992 162.5
[M+K]+ 251.05926 151.5
[M+H-H2O]+ 195.09336 136.4
[M+HCOO]- 257.09430 167.8
[M+CH3COO]- 271.10995 192.5
[M+Na-2H]- 233.07077 149.5
[M]+ 212.09555 146.7
[M]- 212.09665 146.7
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.