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

6
Patents

161.10161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 132.3
[M+Na]+ 184.09083 137.8
[M-H]- 160.09433 135.5
[M+NH4]+ 179.13543 143.3
[M+K]+ 200.06477 140.9
[M+H-H2O]+ 144.09887 119.2
[M+HCOO]- 206.09981 149.2
[M+CH3COO]- 220.11546 192.2
[M+Na-2H]- 182.07628 137.2
[M]+ 161.10106 143.1
[M]- 161.10216 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