CID 83854893

(4,4-difluoro-1-methylpiperidin-3-yl)methanamine

Structural Information

Molecular Formula
C7H14F2N2
SMILES
CN1CCC(C(C1)CN)(F)F
InChI
InChI=1S/C7H14F2N2/c1-11-3-2-7(8,9)6(4-10)5-11/h6H,2-5,10H2,1H3
InChIKey
WAGFPUSMLPSDHU-UHFFFAOYSA-N
Compound name
(4,4-difluoro-1-methylpiperidin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.1125 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.119776 133.4
[M+Na]+ 187.101718 140.6
[M-H]- 163.105224 132.4
[M+NH4]+ 182.146323 154.4
[M+K]+ 203.075658 138.8
[M+H-H2O]+ 147.109760 126.3
[M+HCOO]- 209.110701 151.2
[M+CH3COO]- 223.126351 180.4
[M+Na-2H]- 185.087166 137.4
[M]+ 164.11195142 125.7
[M]- 164.11304858 125.7
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