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]+ 162.10889 159.9
[M+Na]+ 184.09083 164.1
[M-H]- 160.09433 161.1
[M+NH4]+ 179.13543 166.3
[M+K]+ 200.06477 168.9
[M+H-H2O]+ 144.09887 146.2
[M+HCOO]- 206.09981 170.6
[M+CH3COO]- 220.11546 209.0
[M+Na-2H]- 182.07628 165.4
[M]+ 161.10106 181.0
[M]- 161.10216 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.