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]+ 165.08341 131.4
[M+Na]+ 187.06535 138.9
[M-H]- 163.06885 129.1
[M+NH4]+ 182.10995 151.5
[M+K]+ 203.03929 136.2
[M+H-H2O]+ 147.07339 124.6
[M+HCOO]- 209.07433 148.4
[M+CH3COO]- 223.08998 176.0
[M+Na-2H]- 185.05080 135.5
[M]+ 164.07558 122.2
[M]- 164.07668 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.