CID 165943787

Tert-butyl 1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H16F3NO2
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)C(F)(F)F
InChI
InChI=1S/C11H16F3NO2/c1-9(2,3)17-8(16)15-6-7-4-10(15,5-7)11(12,13)14/h7H,4-6H2,1-3H3
InChIKey
GVLXPIGOKFCQFB-UHFFFAOYSA-N
Compound name
tert-butyl 1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11331 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12059 169.3
[M+Na]+ 274.10253 175.8
[M-H]- 250.10603 165.8
[M+NH4]+ 269.14713 188.1
[M+K]+ 290.07647 176.8
[M+H-H2O]+ 234.11057 161.1
[M+HCOO]- 296.11151 179.0
[M+CH3COO]- 310.12716 197.1
[M+Na-2H]- 272.08798 174.1
[M]+ 251.11276 179.6
[M]- 251.11386 179.6
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.