CID 91902639

Potassium tert-butyl n-methyl-n-[(trifluoroboranuidyl)methyl]carbamate

Structural Information

Molecular Formula
C7H14BF3NO2
SMILES
[B-](CN(C)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12(4)5-8(9,10)11/h5H2,1-4H3/q-1
InChIKey
GJQDGAUQSQYSDP-UHFFFAOYSA-N
Compound name
trifluoro-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11424 141.6
[M+Na]+ 235.09618 148.4
[M-H]- 211.09968 137.9
[M+NH4]+ 230.14078 160.4
[M+K]+ 251.07012 149.3
[M+H-H2O]+ 195.10422 137.1
[M+HCOO]- 257.10516 159.3
[M+CH3COO]- 271.12081 188.7
[M+Na-2H]- 233.08163 145.2
[M]+ 212.10641 138.2
[M]- 212.10751 138.2
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.