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]+ 219.15033 154.6
[M+Na]+ 241.13227 159.7
[M-H]- 217.13577 155.0
[M+NH4]+ 236.17687 167.0
[M+K]+ 257.10621 162.0
[M+H-H2O]+ 201.14031 143.6
[M+HCOO]- 263.14125 171.4
[M+CH3COO]- 277.15690 192.7
[M+Na-2H]- 239.11772 157.4
[M]+ 218.14250 162.0
[M]- 218.14360 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.