CID 72207784

{6,6-difluorospiro[3.3]heptan-2-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1C(CC12CC(C2)(F)F)CN
InChI
InChI=1S/C8H13F2N/c9-8(10)4-7(5-8)1-6(2-7)3-11/h6H,1-5,11H2
InChIKey
CTWYAVVJWOTHOW-UHFFFAOYSA-N
Compound name
(2,2-difluorospiro[3.3]heptan-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.10161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 132.3
[M+Na]+ 184.090828 137.8
[M-H]- 160.094334 135.5
[M+NH4]+ 179.135433 143.3
[M+K]+ 200.064768 140.9
[M+H-H2O]+ 144.098870 119.2
[M+HCOO]- 206.099811 149.2
[M+CH3COO]- 220.115461 192.2
[M+Na-2H]- 182.076276 137.2
[M]+ 161.10106142 143.1
[M]- 161.10215858 143.1
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

patents stripe