CID 72206995

Tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-6-7(15)10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKey
ODGMABGNQLJFIX-UHFFFAOYSA-N
Compound name
tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

254.1242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13148 161.1
[M+Na]+ 277.11342 166.2
[M+NH4]+ 272.15802 164.1
[M+K]+ 293.08736 163.8
[M-H]- 253.11692 154.5
[M+Na-2H]- 275.09887 161.0
[M]+ 254.12365 159.4
[M]- 254.12475 159.4
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