CID 137935328

2248173-11-5

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1[C@@H]2CC(C[C@@H]2CC1N)(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2/t5-,6+,7?
InChIKey
ZVGNSKWEOGCMNG-MEKDEQNOSA-N
Compound name
(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.10161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 131.8
[M+Na]+ 184.09083 139.8
[M-H]- 160.09433 133.3
[M+NH4]+ 179.13543 158.7
[M+K]+ 200.06477 137.0
[M+H-H2O]+ 144.09887 126.2
[M+HCOO]- 206.09981 151.9
[M+CH3COO]- 220.11546 178.7
[M+Na-2H]- 182.07628 133.9
[M]+ 161.10106 124.3
[M]- 161.10216 124.3
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.