CID 138987337

3-(3,3-difluorocyclobutyl)morpholine

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1COCC(N1)C2CC(C2)(F)F
InChI
InChI=1S/C8H13F2NO/c9-8(10)3-6(4-8)7-5-12-2-1-11-7/h6-7,11H,1-5H2
InChIKey
RBEUNONAARCKCX-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.103806 133.7
[M+Na]+ 200.085748 138.5
[M-H]- 176.089254 135.1
[M+NH4]+ 195.130353 145.8
[M+K]+ 216.059688 140.3
[M+H-H2O]+ 160.093790 121.5
[M+HCOO]- 222.094731 147.1
[M+CH3COO]- 236.110381 179.2
[M+Na-2H]- 198.071196 138.7
[M]+ 177.09598142 134.0
[M]- 177.09707858 134.0
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.