CID 105427900

1-[3-(difluoromethyl)oxetan-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CO1)(CN)C(F)F
InChI
InChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2
InChIKey
NYNCJBLFQIECEU-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)oxetan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 133.4
[M+Na]+ 160.05444 137.0
[M+NH4]+ 155.09904 137.7
[M+K]+ 176.02838 133.0
[M-H]- 136.05794 130.4
[M+Na-2H]- 158.03989 134.9
[M]+ 137.06467 131.7
[M]- 137.06577 131.7
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