CID 50986404

1258652-24-2

Structural Information

Molecular Formula
C9H15F3N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(F)(F)F)N
InChI
InChI=1S/C9H15F3N2O2/c1-7(2,3)16-6(15)14-4-8(13,5-14)9(10,11)12/h4-5,13H2,1-3H3
InChIKey
ORAKIPUXJZWAKD-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10857 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11585 156.6
[M+Na]+ 263.09779 162.6
[M-H]- 239.10129 154.8
[M+NH4]+ 258.14239 168.1
[M+K]+ 279.07173 164.8
[M+H-H2O]+ 223.10583 144.7
[M+HCOO]- 285.10677 170.1
[M+CH3COO]- 299.12242 195.0
[M+Na-2H]- 261.08324 159.6
[M]+ 240.10802 160.4
[M]- 240.10912 160.4
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.