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

185
Patents

254.1242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.131476 157.3
[M+Na]+ 277.113418 163.0
[M-H]- 253.116924 152.2
[M+NH4]+ 272.158023 171.0
[M+K]+ 293.087358 160.9
[M+H-H2O]+ 237.121460 148.5
[M+HCOO]- 299.122401 166.3
[M+CH3COO]- 313.138051 189.8
[M+Na-2H]- 275.098866 159.5
[M]+ 254.12365142 149.4
[M]- 254.12474858 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