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]+ 156.06308 128.7
[M+Na]+ 178.04502 133.9
[M-H]- 154.04852 128.5
[M+NH4]+ 173.08962 141.2
[M+K]+ 194.01896 137.5
[M+H-H2O]+ 138.05306 116.0
[M+HCOO]- 200.05400 145.0
[M+CH3COO]- 214.06965 180.4
[M+Na-2H]- 176.03047 133.5
[M]+ 155.05525 130.6
[M]- 155.05635 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.