CID 83854841

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

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(C(C1)(F)F)CCN
InChI
InChI=1S/C7H13F2N/c8-7(9)4-1-2-6(7)3-5-10/h6H,1-5,10H2
InChIKey
OUORFBWHYHZQIN-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopentyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

149.10161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 128.7
[M+Na]+ 172.090828 135.8
[M-H]- 148.094334 129.1
[M+NH4]+ 167.135433 153.2
[M+K]+ 188.064768 134.0
[M+H-H2O]+ 132.098870 122.6
[M+HCOO]- 194.099811 150.0
[M+CH3COO]- 208.115461 176.4
[M+Na-2H]- 170.076276 132.3
[M]+ 149.10106142 122.2
[M]- 149.10215858 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