CID 74787604

1684443-04-6

Structural Information

Molecular Formula
C10H18BF3NO2
SMILES
[B-](C1CCCCN1C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-7-5-4-6-8(15)11(12,13)14/h8H,4-7H2,1-3H3/q-1
InChIKey
GQXJGYXQRLJINJ-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.145556 153.7
[M+Na]+ 275.127498 158.9
[M-H]- 251.131004 149.7
[M+NH4]+ 270.172103 169.0
[M+K]+ 291.101438 157.7
[M+H-H2O]+ 235.135540 147.8
[M+HCOO]- 297.136481 164.8
[M+CH3COO]- 311.152131 189.7
[M+Na-2H]- 273.112946 155.5
[M]+ 252.13773142 145.2
[M]- 252.13882858 145.2
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.