CID 82652840

2741689-43-8

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1CN[C@@H](C[C@@H]1N)C(F)(F)F
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5,11H,1-3,10H2/t4-,5+/m1/s1
InChIKey
PCKHPKOYZRMWHW-UHNVWZDZSA-N
Compound name
(2S,4R)-2-(trifluoromethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 133.6
[M+Na]+ 191.07665 139.5
[M-H]- 167.08015 129.5
[M+NH4]+ 186.12125 151.4
[M+K]+ 207.05059 136.6
[M+H-H2O]+ 151.08469 125.4
[M+HCOO]- 213.08563 147.5
[M+CH3COO]- 227.10128 176.6
[M+Na-2H]- 189.06210 137.2
[M]+ 168.08688 121.1
[M]- 168.08798 121.1
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.