CID 137935778

2253629-76-2

Structural Information

Molecular Formula
C8H14F3N
SMILES
CC1(CCCNC1C(F)(F)F)C
InChI
InChI=1S/C8H14F3N/c1-7(2)4-3-5-12-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKey
SWBHPBMEJOQNRU-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11511 137.8
[M+Na]+ 204.09705 144.7
[M-H]- 180.10055 134.5
[M+NH4]+ 199.14165 157.9
[M+K]+ 220.07099 142.2
[M+H-H2O]+ 164.10509 130.6
[M+HCOO]- 226.10603 150.8
[M+CH3COO]- 240.12168 178.1
[M+Na-2H]- 202.08250 142.3
[M]+ 181.10728 128.2
[M]- 181.10838 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.