CID 53429222

4-(difluoromethyl)bicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H15F2N
SMILES
C1CC2(CCC1(CC2)C(F)F)N
InChI
InChI=1S/C9H15F2N/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h7H,1-6,12H2
InChIKey
UCZUVCWTOKXZTK-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)bicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

175.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12453 140.3
[M+Na]+ 198.10647 145.0
[M-H]- 174.10997 134.1
[M+NH4]+ 193.15107 167.9
[M+K]+ 214.08041 142.0
[M+H-H2O]+ 158.11451 134.2
[M+HCOO]- 220.11545 149.5
[M+CH3COO]- 234.13110 150.1
[M+Na-2H]- 196.09192 150.5
[M]+ 175.11670 135.1
[M]- 175.11780 135.1
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