CID 121203413

3-methoxy-3-(trifluoromethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H8F3NO
SMILES
COC1(CNC1)C(F)(F)F
InChI
InChI=1S/C5H8F3NO/c1-10-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3
InChIKey
VNJCLZREZUJUFS-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

155.0558 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 129.5
[M+Na]+ 178.045018 136.7
[M-H]- 154.048524 126.9
[M+NH4]+ 173.089623 144.1
[M+K]+ 194.018958 138.2
[M+H-H2O]+ 138.053060 118.4
[M+HCOO]- 200.054001 144.8
[M+CH3COO]- 214.069651 175.2
[M+Na-2H]- 176.030466 136.1
[M]+ 155.05525142 132.4
[M]- 155.05634858 132.4
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.