CID 165882940

Ethyl(1s,3r)-3-amino-4,4-difluorocyclohexane-1-carboxylatehydrochloride

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
CCOC(=O)[C@H]1CCC([C@@H](C1)N)(F)F
InChI
InChI=1S/C9H15F2NO2/c1-2-14-8(13)6-3-4-9(10,11)7(12)5-6/h6-7H,2-5,12H2,1H3/t6-,7+/m0/s1
InChIKey
PBDIJCDZUKCZGH-NKWVEPMBSA-N
Compound name
ethyl (1S,3R)-3-amino-4,4-difluorocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10709 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11437 143.3
[M+Na]+ 230.09631 149.7
[M-H]- 206.09981 143.5
[M+NH4]+ 225.14091 163.7
[M+K]+ 246.07025 148.4
[M+H-H2O]+ 190.10435 136.8
[M+HCOO]- 252.10529 161.3
[M+CH3COO]- 266.12094 187.3
[M+Na-2H]- 228.08176 145.1
[M]+ 207.10654 137.3
[M]- 207.10764 137.3
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.