CID 53346590

(3-fluorooxetan-3-yl)methanamine

Structural Information

Molecular Formula
C4H8FNO
SMILES
C1C(CO1)(CN)F
InChI
InChI=1S/C4H8FNO/c5-4(1-6)2-7-3-4/h1-3,6H2
InChIKey
CKOHQNWYAGJORO-UHFFFAOYSA-N
Compound name
(3-fluorooxetan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

105.05899 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.066266 116.2
[M+Na]+ 128.048208 122.5
[M-H]- 104.051714 119.0
[M+NH4]+ 123.092813 132.8
[M+K]+ 144.022148 126.4
[M+H-H2O]+ 88.056250 106.6
[M+HCOO]- 150.057191 137.6
[M+CH3COO]- 164.072841 171.0
[M+Na-2H]- 126.033656 124.8
[M]+ 105.05844142 121.9
[M]- 105.05953858 121.9
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