CID 165947415

2,2-difluoro-3-methylbicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
CC12CC(C1)(C2(F)F)N
InChI
InChI=1S/C6H9F2N/c1-4-2-5(9,3-4)6(4,7)8/h2-3,9H2,1H3
InChIKey
IMCBAJOXDSJXGT-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 152.8
[M+Na]+ 156.05953 158.9
[M-H]- 132.06303 154.9
[M+NH4]+ 151.10413 161.8
[M+K]+ 172.03347 163.1
[M+H-H2O]+ 116.06757 140.6
[M+HCOO]- 178.06851 165.1
[M+CH3COO]- 192.08416 205.1
[M+Na-2H]- 154.04498 158.9
[M]+ 133.06976 174.3
[M]- 133.07086 174.3
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.