CID 165839854

(3,3-difluoro-1-methylcyclohexyl)methanamine

Structural Information

Molecular Formula
C8H15F2N
SMILES
CC1(CCCC(C1)(F)F)CN
InChI
InChI=1S/C8H15F2N/c1-7(6-11)3-2-4-8(9,10)5-7/h2-6,11H2,1H3
InChIKey
KFAUIITZWWJDRV-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-methylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12453 132.8
[M+Na]+ 186.10647 139.6
[M-H]- 162.10997 133.3
[M+NH4]+ 181.15107 157.0
[M+K]+ 202.08041 138.0
[M+H-H2O]+ 146.11451 127.3
[M+HCOO]- 208.11545 151.6
[M+CH3COO]- 222.13110 179.5
[M+Na-2H]- 184.09192 138.2
[M]+ 163.11670 125.0
[M]- 163.11780 125.0
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.