CID 59605680

4-(3,3-difluoroazetidin-1-yl)piperidine

Structural Information

Molecular Formula
C8H14F2N2
SMILES
C1CNCCC1N2CC(C2)(F)F
InChI
InChI=1S/C8H14F2N2/c9-8(10)5-12(6-8)7-1-3-11-4-2-7/h7,11H,1-6H2
InChIKey
NMSGIIPUOLDNTO-UHFFFAOYSA-N
Compound name
4-(3,3-difluoroazetidin-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

176.1125 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11978 137.8
[M+Na]+ 199.10172 142.7
[M-H]- 175.10522 137.0
[M+NH4]+ 194.14632 149.8
[M+K]+ 215.07566 142.9
[M+H-H2O]+ 159.10976 124.6
[M+HCOO]- 221.11070 150.6
[M+CH3COO]- 235.12635 180.0
[M+Na-2H]- 197.08717 141.6
[M]+ 176.11195 136.6
[M]- 176.11305 136.6
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