CID 50989636

3-(trifluoromethyl)oxolan-3-amine

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1COCC1(C(F)(F)F)N
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2
InChIKey
GCSHUWRZDOUZNN-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
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 125.4
[M+Na]+ 178.045018 132.9
[M-H]- 154.048524 125.2
[M+NH4]+ 173.089623 148.0
[M+K]+ 194.018958 133.0
[M+H-H2O]+ 138.053060 119.1
[M+HCOO]- 200.054001 144.0
[M+CH3COO]- 214.069651 173.6
[M+Na-2H]- 176.030466 132.0
[M]+ 155.05525142 118.0
[M]- 155.05634858 118.0
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

patents stripe