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

4
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 126.3
[M+Na]+ 160.054438 131.8
[M-H]- 136.057944 127.5
[M+NH4]+ 155.099043 141.4
[M+K]+ 176.028378 135.5
[M+H-H2O]+ 120.062480 115.4
[M+HCOO]- 182.063421 145.2
[M+CH3COO]- 196.079071 177.5
[M+Na-2H]- 158.039886 132.2
[M]+ 137.06467142 130.4
[M]- 137.06576858 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