CID 84717032

3-(difluoromethoxy)cyclohexan-1-amine

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1CC(CC(C1)OC(F)F)N
InChI
InChI=1S/C7H13F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h5-7H,1-4,10H2
InChIKey
USDBMIDEVGRNIN-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.09653 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 133.6
[M+Na]+ 188.085748 138.6
[M-H]- 164.089254 133.3
[M+NH4]+ 183.130353 153.4
[M+K]+ 204.059688 137.5
[M+H-H2O]+ 148.093790 126.2
[M+HCOO]- 210.094731 151.9
[M+CH3COO]- 224.110381 180.0
[M+Na-2H]- 186.071196 135.8
[M]+ 165.09598142 125.4
[M]- 165.09707858 125.4
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

patents stripe