CID 138487988

1822855-88-8

Structural Information

Molecular Formula
C15H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=C(N=CC=C2)F
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKey
KKUHXLFXDKHHCM-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-fluoropyridin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

280.1587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16598 166.9
[M+Na]+ 303.14792 172.5
[M-H]- 279.15142 168.9
[M+NH4]+ 298.19252 180.1
[M+K]+ 319.12186 169.7
[M+H-H2O]+ 263.15596 157.4
[M+HCOO]- 325.15690 181.0
[M+CH3COO]- 339.17255 198.8
[M+Na-2H]- 301.13337 169.1
[M]+ 280.15815 163.6
[M]- 280.15925 163.6
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