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

10
Patents

117.095375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10265 124.1
[M+Na]+ 140.08459 130.0
[M-H]- 116.08810 123.6
[M+NH4]+ 135.12920 138.4
[M+K]+ 156.05853 131.6
[M+H-H2O]+ 100.09264 113.6
[M+HCOO]- 162.09358 141.0
[M+CH3COO]- 176.10923 171.9
[M+Na-2H]- 138.07004 130.4
[M]+ 117.09483 128.2
[M]- 117.09592 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

No patent data available for this compound.