CID 165913115

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

Structural Information

Molecular Formula
C11H18FNO2
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)CF
InChI
InChI=1S/C11H18FNO2/c1-10(2,3)15-9(14)13-6-8-4-11(13,5-8)7-12/h8H,4-7H2,1-3H3
InChIKey
NNRFFZMVRPREIF-UHFFFAOYSA-N
Compound name
tert-butyl 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13216 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13944 160.8
[M+Na]+ 238.12138 166.8
[M-H]- 214.12488 159.5
[M+NH4]+ 233.16598 181.0
[M+K]+ 254.09532 168.2
[M+H-H2O]+ 198.12942 153.5
[M+HCOO]- 260.13036 174.1
[M+CH3COO]- 274.14601 192.1
[M+Na-2H]- 236.10683 165.7
[M]+ 215.13161 174.0
[M]- 215.13271 174.0
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.