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

3
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 126.3
[M+Na]+ 160.05444 131.8
[M-H]- 136.05794 127.5
[M+NH4]+ 155.09904 141.4
[M+K]+ 176.02838 135.5
[M+H-H2O]+ 120.06248 115.4
[M+HCOO]- 182.06342 145.2
[M+CH3COO]- 196.07907 177.5
[M+Na-2H]- 158.03989 132.2
[M]+ 137.06467 130.4
[M]- 137.06577 130.4
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

patents stripe