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]+ 150.10889 129.6
[M+Na]+ 172.09083 136.4
[M-H]- 148.09433 130.0
[M+NH4]+ 167.13543 154.0
[M+K]+ 188.06477 135.0
[M+H-H2O]+ 132.09887 123.6
[M+HCOO]- 194.09981 149.8
[M+CH3COO]- 208.11546 177.3
[M+Na-2H]- 170.07628 131.9
[M]+ 149.10106 122.3
[M]- 149.10216 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.