CID 135394248

1582719-55-8

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1C(CO1)C(C(F)(F)F)N
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)4(9)3-1-10-2-3/h3-4H,1-2,9H2
InChIKey
JQQGBEHVICWZRS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(oxetan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0558 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 128.7
[M+Na]+ 178.045018 133.9
[M-H]- 154.048524 128.5
[M+NH4]+ 173.089623 141.2
[M+K]+ 194.018958 137.5
[M+H-H2O]+ 138.053060 116.0
[M+HCOO]- 200.054001 145.0
[M+CH3COO]- 214.069651 180.4
[M+Na-2H]- 176.030466 133.5
[M]+ 155.05525142 130.6
[M]- 155.05634858 130.6
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.