CID 137944173

2260931-16-4

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1[C@H]([C@H]1C(F)F)CN
InChI
InChI=1S/C5H9F2N/c6-5(7)4-1-3(4)2-8/h3-5H,1-2,8H2/t3-,4-/m0/s1
InChIKey
PSQQHVRRDBJQHO-IMJSIDKUSA-N
Compound name
[(1R,2S)-2-(difluoromethyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.0
[M-H]- 120.06303 118.7
[M+NH4]+ 139.10413 133.9
[M+K]+ 160.03346 123.8
[M+H-H2O]+ 104.06756 109.5
[M+HCOO]- 166.06851 138.6
[M+CH3COO]- 180.08416 177.7
[M+Na-2H]- 142.04497 121.5
[M]+ 121.06976 114.5
[M]- 121.07085 114.5
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.