CID 63622170

N-(2,2,2-trifluoroethyl)oxetan-3-amine

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1C(CO1)NCC(F)(F)F
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)3-9-4-1-10-2-4/h4,9H,1-3H2
InChIKey
XMRONXNNYFFSOS-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0558 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 125.9
[M+Na]+ 178.045018 131.5
[M-H]- 154.048524 126.2
[M+NH4]+ 173.089623 138.8
[M+K]+ 194.018958 134.9
[M+H-H2O]+ 138.053060 113.4
[M+HCOO]- 200.054001 143.9
[M+CH3COO]- 214.069651 180.2
[M+Na-2H]- 176.030466 133.2
[M]+ 155.05525142 129.5
[M]- 155.05634858 129.5
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.