CID 84716388

3-(difluoromethyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(CC(C1)N)C(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)5-2-1-3-6(10)4-5/h5-7H,1-4,10H2
InChIKey
VYZHFSHPTHUYEX-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 130.6
[M+Na]+ 172.090828 135.6
[M-H]- 148.094334 130.4
[M+NH4]+ 167.135433 151.1
[M+K]+ 188.064768 134.1
[M+H-H2O]+ 132.098870 123.4
[M+HCOO]- 194.099811 148.6
[M+CH3COO]- 208.115461 177.9
[M+Na-2H]- 170.076276 132.8
[M]+ 149.10106142 121.0
[M]- 149.10215858 121.0
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.