CID 80606072

1-(difluoromethyl)cycloheptan-1-aminehydrochloride

Structural Information

Molecular Formula
C8H15F2N
SMILES
C1CCCC(CC1)(C(F)F)N
InChI
InChI=1S/C8H15F2N/c9-7(10)8(11)5-3-1-2-4-6-8/h7H,1-6,11H2
InChIKey
NPIMHHXLHDHAAS-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12453 126.9
[M+Na]+ 186.10647 129.6
[M-H]- 162.10997 127.8
[M+NH4]+ 181.15107 147.0
[M+K]+ 202.08041 132.2
[M+H-H2O]+ 146.11451 120.6
[M+HCOO]- 208.11545 144.1
[M+CH3COO]- 222.13110 181.4
[M+Na-2H]- 184.09192 130.6
[M]+ 163.11670 114.9
[M]- 163.11780 114.9
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.