CID 53418162

4-(trifluoromethyl)piperidin-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1CN(CCC1C(F)(F)F)N
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)5-1-3-11(10)4-2-5/h5H,1-4,10H2
InChIKey
KJRMCAKVXUCFRC-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)piperidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.08743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 133.1
[M+Na]+ 191.07665 139.4
[M-H]- 167.08015 130.4
[M+NH4]+ 186.12125 151.7
[M+K]+ 207.05059 137.5
[M+H-H2O]+ 151.08469 124.7
[M+HCOO]- 213.08563 148.6
[M+CH3COO]- 227.10128 179.2
[M+Na-2H]- 189.06210 137.2
[M]+ 168.08688 122.5
[M]- 168.08798 122.5
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