CID 137965574

6-(aminomethyl)-3,3-difluoropiperidin-2-one

Structural Information

Molecular Formula
C6H10F2N2O
SMILES
C1CC(C(=O)NC1CN)(F)F
InChI
InChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-9)10-5(6)11/h4H,1-3,9H2,(H,10,11)
InChIKey
JXNNCCRFGWSDAU-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-3,3-difluoropiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.07613 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.083406 131.4
[M+Na]+ 187.065348 138.9
[M-H]- 163.068854 129.1
[M+NH4]+ 182.109953 151.5
[M+K]+ 203.039288 136.2
[M+H-H2O]+ 147.073390 124.6
[M+HCOO]- 209.074331 148.4
[M+CH3COO]- 223.089981 176.0
[M+Na-2H]- 185.050796 135.5
[M]+ 164.07558142 122.2
[M]- 164.07667858 122.2
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.