CID 138987805

Rac-(1r,2r)-2-(1,1-difluoroethyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC([C@@H]1C[C@H]1N)(F)F
InChI
InChI=1S/C5H9F2N/c1-5(6,7)3-2-4(3)8/h3-4H,2,8H2,1H3/t3-,4-/m1/s1
InChIKey
OGYFQNGPKWEQHY-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 116.7
[M+Na]+ 144.05952 126.7
[M-H]- 120.06303 119.0
[M+NH4]+ 139.10413 134.1
[M+K]+ 160.03346 124.5
[M+H-H2O]+ 104.06756 110.2
[M+HCOO]- 166.06851 138.1
[M+CH3COO]- 180.08416 177.2
[M+Na-2H]- 142.04497 123.3
[M]+ 121.06976 114.7
[M]- 121.07085 114.7
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

No patent data available for this compound.