CID 167718948

5,5-difluoro-2,2-dimethoxycyclohexan-1-amine

Structural Information

Molecular Formula
C8H15F2NO2
SMILES
COC1(CCC(CC1N)(F)F)OC
InChI
InChI=1S/C8H15F2NO2/c1-12-8(13-2)4-3-7(9,10)5-6(8)11/h6H,3-5,11H2,1-2H3
InChIKey
RJJJHVGIOSFZIR-UHFFFAOYSA-N
Compound name
5,5-difluoro-2,2-dimethoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10709 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11437 138.0
[M+Na]+ 218.09631 145.6
[M-H]- 194.09981 138.6
[M+NH4]+ 213.14091 161.0
[M+K]+ 234.07025 145.0
[M+H-H2O]+ 178.10435 132.4
[M+HCOO]- 240.10529 157.2
[M+CH3COO]- 254.12094 184.7
[M+Na-2H]- 216.08176 142.9
[M]+ 195.10654 133.5
[M]- 195.10764 133.5
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.