CID 155943613

2613385-87-6

Structural Information

Molecular Formula
C8H13F2N
SMILES
CC(C12CC(C1)(C2)CN)(F)F
InChI
InChI=1S/C8H13F2N/c1-6(9,10)8-2-7(3-8,4-8)5-11/h2-5,11H2,1H3
InChIKey
SUZMREZNVCUKHE-UHFFFAOYSA-N
Compound name
[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 159.9
[M+Na]+ 184.090828 164.1
[M-H]- 160.094334 161.1
[M+NH4]+ 179.135433 166.3
[M+K]+ 200.064768 168.9
[M+H-H2O]+ 144.098870 146.2
[M+HCOO]- 206.099811 170.6
[M+CH3COO]- 220.115461 209.0
[M+Na-2H]- 182.076276 165.4
[M]+ 161.10106142 181.0
[M]- 161.10215858 181.0
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.