CID 83853729

En300-1877525

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1C(C)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-5-14-7-8(15)11(4,12)13/h8,14H,5-7H2,1-4H3
InChIKey
BHGXNOBFXICWOO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1,1-difluoroethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14928 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 158.7
[M+Na]+ 273.13850 163.9
[M-H]- 249.14200 154.9
[M+NH4]+ 268.18310 172.7
[M+K]+ 289.11244 162.0
[M+H-H2O]+ 233.14654 150.8
[M+HCOO]- 295.14748 168.5
[M+CH3COO]- 309.16313 190.7
[M+Na-2H]- 271.12395 161.0
[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

No patent data available for this compound.