CID 84716014

2824986-64-1

Structural Information

Molecular Formula
C6H12FN
SMILES
C1C(CC1CF)CN
InChI
InChI=1S/C6H12FN/c7-3-5-1-6(2-5)4-8/h5-6H,1-4,8H2
InChIKey
XJUXHVPGYRNYFP-UHFFFAOYSA-N
Compound name
[3-(fluoromethyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.095375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 123.0
[M+Na]+ 140.084593 128.6
[M-H]- 116.088099 124.8
[M+NH4]+ 135.129198 138.7
[M+K]+ 156.058533 130.6
[M+H-H2O]+ 100.092635 112.1
[M+HCOO]- 162.093576 144.4
[M+CH3COO]- 176.109226 176.6
[M+Na-2H]- 138.070041 127.7
[M]+ 117.09482642 127.4
[M]- 117.09592358 127.4
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.