CID 69928802

(1r,2r)-2-fluoro-n-methylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H14FN
SMILES
CN[C@@H]1CCCC[C@H]1F
InChI
InChI=1S/C7H14FN/c1-9-7-5-3-2-4-6(7)8/h6-7,9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
ZCQXAHWKVKFEIH-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-2-fluoro-N-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.11102 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.118296 126.8
[M+Na]+ 154.100238 132.0
[M-H]- 130.103744 128.5
[M+NH4]+ 149.144843 148.4
[M+K]+ 170.074178 130.9
[M+H-H2O]+ 114.108280 120.5
[M+HCOO]- 176.109221 147.5
[M+CH3COO]- 190.124871 175.0
[M+Na-2H]- 152.085686 132.0
[M]+ 131.11047142 120.0
[M]- 131.11156858 120.0
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

patents stripe