CID 43163808

N-(2,2-difluoroethyl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1CC1NCC(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)3-8-4-1-2-4/h4-5,8H,1-3H2
InChIKey
WVMHDNUVEBYCCW-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

121.070305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 117.3
[M+Na]+ 144.059523 125.7
[M-H]- 120.063029 119.5
[M+NH4]+ 139.104128 134.4
[M+K]+ 160.033463 124.0
[M+H-H2O]+ 104.067565 109.8
[M+HCOO]- 166.068506 139.9
[M+CH3COO]- 180.084156 177.3
[M+Na-2H]- 142.044971 123.8
[M]+ 121.06975642 115.7
[M]- 121.07085358 115.7
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