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

95
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 125.4
[M+Na]+ 178.04502 132.9
[M-H]- 154.04852 125.2
[M+NH4]+ 173.08962 148.0
[M+K]+ 194.01896 133.0
[M+H-H2O]+ 138.05306 119.1
[M+HCOO]- 200.05400 144.0
[M+CH3COO]- 214.06965 173.6
[M+Na-2H]- 176.03047 132.0
[M]+ 155.05525 118.0
[M]- 155.05635 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