CID 66977112

Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C9H14F3NO2
SMILES
CCOC(=O)C1(CCNCC1)C(F)(F)F
InChI
InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3
InChIKey
AHRBNYBJXZIZAI-UHFFFAOYSA-N
Compound name
ethyl 4-(trifluoromethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.09766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10494 148.0
[M+Na]+ 248.08688 153.5
[M-H]- 224.09038 144.1
[M+NH4]+ 243.13148 165.7
[M+K]+ 264.06082 151.6
[M+H-H2O]+ 208.09492 140.2
[M+HCOO]- 270.09586 160.3
[M+CH3COO]- 284.11151 183.2
[M+Na-2H]- 246.07233 151.6
[M]+ 225.09711 139.8
[M]- 225.09821 139.8
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