CID 105472576

Tert-butyl 3-(2-amino-1-fluoroethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(CN)F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-7(6-13)8(11)4-12/h7-8H,4-6,12H2,1-3H3
InChIKey
FWUFPXRFMIHHAV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1-fluoroethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.14305 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15033 155.5
[M+Na]+ 241.13227 159.3
[M-H]- 217.13577 155.4
[M+NH4]+ 236.17687 165.7
[M+K]+ 257.10621 162.0
[M+H-H2O]+ 201.14031 142.9
[M+HCOO]- 263.14125 171.2
[M+CH3COO]- 277.15690 194.0
[M+Na-2H]- 239.11772 155.7
[M]+ 218.14250 161.7
[M]- 218.14360 161.7
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.