CID 84764669

(2,2-difluorocycloheptyl)methanaminehydrochloride

Structural Information

Molecular Formula
C8H15F2N
SMILES
C1CCC(C(CC1)(F)F)CN
InChI
InChI=1S/C8H15F2N/c9-8(10)5-3-1-2-4-7(8)6-11/h7H,1-6,11H2
InChIKey
BISKPJUDIGNLED-UHFFFAOYSA-N
Compound name
(2,2-difluorocycloheptyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11725 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12453 126.7
[M+Na]+ 186.10647 133.3
[M+NH4]+ 181.15107 134.9
[M+K]+ 202.08041 128.1
[M-H]- 162.10997 126.3
[M+Na-2H]- 184.09192 132.3
[M]+ 163.11670 127.4
[M]- 163.11780 127.4
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.