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]+ 156.06308 125.9
[M+Na]+ 178.04502 131.5
[M-H]- 154.04852 126.2
[M+NH4]+ 173.08962 138.8
[M+K]+ 194.01896 134.9
[M+H-H2O]+ 138.05306 113.4
[M+HCOO]- 200.05400 143.9
[M+CH3COO]- 214.06965 180.2
[M+Na-2H]- 176.03047 133.2
[M]+ 155.05525 129.5
[M]- 155.05635 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.