CID 105472572

Tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)CF
InChI
InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,12H2,1-3H3
InChIKey
ILYAQLJWSNNHMR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.14305 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.150326 154.6
[M+Na]+ 241.132268 159.7
[M-H]- 217.135774 155.0
[M+NH4]+ 236.176873 167.0
[M+K]+ 257.106208 162.0
[M+H-H2O]+ 201.140310 143.6
[M+HCOO]- 263.141251 171.4
[M+CH3COO]- 277.156901 192.7
[M+Na-2H]- 239.117716 157.4
[M]+ 218.14250142 162.0
[M]- 218.14359858 162.0
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.