CID 72210108

2375267-81-3

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1CC(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-15-7-8(16)6-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKey
QDJQPSDQSUMFFG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13986 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 161.8
[M+Na]+ 291.12908 167.1
[M-H]- 267.13258 156.6
[M+NH4]+ 286.17368 175.0
[M+K]+ 307.10302 164.8
[M+H-H2O]+ 251.13712 152.9
[M+HCOO]- 313.13806 170.5
[M+CH3COO]- 327.15371 192.8
[M+Na-2H]- 289.11453 163.5
[M]+ 268.13931 154.3
[M]- 268.14041 154.3
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.