CID 45588145

936329-97-4

Structural Information

Molecular Formula
C10H19BF3N2O2
SMILES
[B-](CN1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H19BF3N2O2/c1-10(2,3)18-9(17)16-6-4-15(5-7-16)8-11(12,13)14/h4-8H2,1-3H3/q-1
InChIKey
ZMODHXXZBLTZED-UHFFFAOYSA-N
Compound name
trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

267.14917 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15645 160.6
[M+Na]+ 290.13839 165.6
[M+NH4]+ 285.18299 163.3
[M+K]+ 306.11233 163.8
[M-H]- 266.14189 154.0
[M+Na-2H]- 288.12384 160.1
[M]+ 267.14862 158.6
[M]- 267.14972 158.6
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.