CID 84647743

2377035-95-3

Structural Information

Molecular Formula
C6H12FN
SMILES
CC(C)(C1CNC1)F
InChI
InChI=1S/C6H12FN/c1-6(2,7)5-3-8-4-5/h5,8H,3-4H2,1-2H3
InChIKey
JJUKATXAIQVQNN-UHFFFAOYSA-N
Compound name
3-(2-fluoropropan-2-yl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

117.095375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 124.1
[M+Na]+ 140.084593 130.0
[M-H]- 116.088099 123.6
[M+NH4]+ 135.129198 138.4
[M+K]+ 156.058533 131.6
[M+H-H2O]+ 100.092635 113.6
[M+HCOO]- 162.093576 141.0
[M+CH3COO]- 176.109226 171.9
[M+Na-2H]- 138.070041 130.4
[M]+ 117.09482642 128.2
[M]- 117.09592358 128.2
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