CID 121553433

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

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC(C1CC1(F)F)N
InChI
InChI=1S/C5H9F2N/c1-3(8)4-2-5(4,6)7/h3-4H,2,8H2,1H3
InChIKey
GPYXLJTYTVJBQZ-UHFFFAOYSA-N
Compound name
1-(2,2-difluorocyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

121.070305 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 116.9
[M+Na]+ 144.05952 126.9
[M-H]- 120.06303 119.3
[M+NH4]+ 139.10413 136.0
[M+K]+ 160.03346 125.6
[M+H-H2O]+ 104.06756 111.1
[M+HCOO]- 166.06851 138.5
[M+CH3COO]- 180.08416 177.3
[M+Na-2H]- 142.04497 122.8
[M]+ 121.06976 115.2
[M]- 121.07085 115.2
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