CID 84707228

1784337-73-0

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1CC(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-11(2,3)17-10(16)15-5-4-14-7-8(15)6-9(12)13/h8-9,14H,4-7H2,1-3H3
InChIKey
XKDVKJDYVHTEPG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

250.14928 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 158.8
[M+Na]+ 273.13850 163.3
[M-H]- 249.14200 154.7
[M+NH4]+ 268.18310 172.6
[M+K]+ 289.11244 161.4
[M+H-H2O]+ 233.14654 150.2
[M+HCOO]- 295.14748 169.2
[M+CH3COO]- 309.16313 191.0
[M+Na-2H]- 271.12395 159.0
[M]+ 250.14873 152.5
[M]- 250.14983 152.5
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