CID 84020806

2-(3,3-difluorocyclopentyl)ethan-1-amine

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(CC1CCN)(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)3-1-6(5-7)2-4-10/h6H,1-5,10H2
InChIKey
SPTONTYLFFKABR-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclopentyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

149.10161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 128.7
[M+Na]+ 172.09083 135.8
[M-H]- 148.09433 129.1
[M+NH4]+ 167.13543 153.2
[M+K]+ 188.06477 134.0
[M+H-H2O]+ 132.09887 122.6
[M+HCOO]- 194.09981 150.0
[M+CH3COO]- 208.11546 176.4
[M+Na-2H]- 170.07628 132.3
[M]+ 149.10106 122.2
[M]- 149.10216 122.2
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