CID 165590938

2731014-14-3

Structural Information

Molecular Formula
C9H16F2N2O2
SMILES
CCOC(=O)C(CN1CCNCC1)(F)F
InChI
InChI=1S/C9H16F2N2O2/c1-2-15-8(14)9(10,11)7-13-5-3-12-4-6-13/h12H,2-7H2,1H3
InChIKey
WXPUUYILVMZOOI-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-3-piperazin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11798 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12526 150.0
[M+Na]+ 245.10720 154.3
[M-H]- 221.11070 145.5
[M+NH4]+ 240.15180 164.4
[M+K]+ 261.08114 152.4
[M+H-H2O]+ 205.11524 141.1
[M+HCOO]- 267.11618 161.9
[M+CH3COO]- 281.13183 184.3
[M+Na-2H]- 243.09265 153.0
[M]+ 222.11743 143.3
[M]- 222.11853 143.3
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.