CID 122163939

1-(3,3-difluorocyclopentyl)ethan-1-amine

Structural Information

Molecular Formula
C7H13F2N
SMILES
CC(C1CCC(C1)(F)F)N
InChI
InChI=1S/C7H13F2N/c1-5(10)6-2-3-7(8,9)4-6/h5-6H,2-4,10H2,1H3
InChIKey
RGDLMWCOMQHALL-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclopentyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.10161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 129.6
[M+Na]+ 172.090828 136.4
[M-H]- 148.094334 130.0
[M+NH4]+ 167.135433 154.0
[M+K]+ 188.064768 135.0
[M+H-H2O]+ 132.098870 123.6
[M+HCOO]- 194.099811 149.8
[M+CH3COO]- 208.115461 177.3
[M+Na-2H]- 170.076276 131.9
[M]+ 149.10106142 122.3
[M]- 149.10215858 122.3
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.