CID 66584857

5chcaaetofpyr

Structural Information

Molecular Formula
C19H28FNO3
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=NC(=C(C=C2)OCC)F
InChI
InChI=1S/C19H28FNO3/c1-3-5-6-7-14-8-10-15(11-9-14)19(22)24-17-13-12-16(23-4-2)18(20)21-17/h12-15H,3-11H2,1-2H3
InChIKey
OSHRQHDXPBYUBP-UHFFFAOYSA-N
Compound name
(5-ethoxy-6-fluoropyridin-2-yl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.20532 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21260 182.8
[M+Na]+ 360.19454 186.8
[M-H]- 336.19804 185.3
[M+NH4]+ 355.23914 194.9
[M+K]+ 376.16848 183.4
[M+H-H2O]+ 320.20258 172.7
[M+HCOO]- 382.20352 198.5
[M+CH3COO]- 396.21917 212.2
[M+Na-2H]- 358.17999 181.3
[M]+ 337.20477 182.8
[M]- 337.20587 182.8
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