CID 66599850

Tert-butyl 3-(trifluoromethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKey
WCGKHZHOGLVVPU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(trifluoromethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
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 157.3
[M+Na]+ 277.11342 163.0
[M-H]- 253.11692 152.2
[M+NH4]+ 272.15802 171.0
[M+K]+ 293.08736 160.9
[M+H-H2O]+ 237.12146 148.5
[M+HCOO]- 299.12240 166.3
[M+CH3COO]- 313.13805 189.8
[M+Na-2H]- 275.09887 159.5
[M]+ 254.12365 149.4
[M]- 254.12475 149.4
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