CID 86775311

3,3-dimethyl-4-(trifluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C8H14F3N
SMILES
CC1(CNCCC1C(F)(F)F)C
InChI
InChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKey
QRDBGSBWGYDUMV-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.115106 137.8
[M+Na]+ 204.097048 144.7
[M-H]- 180.100554 134.5
[M+NH4]+ 199.141653 157.9
[M+K]+ 220.070988 142.2
[M+H-H2O]+ 164.105090 130.6
[M+HCOO]- 226.106031 150.8
[M+CH3COO]- 240.121681 178.1
[M+Na-2H]- 202.082496 142.3
[M]+ 181.10728142 128.2
[M]- 181.10837858 128.2
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.