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]+ 164.124526 132.8
[M+Na]+ 186.106468 139.6
[M-H]- 162.109974 133.3
[M+NH4]+ 181.151073 157.0
[M+K]+ 202.080408 138.0
[M+H-H2O]+ 146.114510 127.3
[M+HCOO]- 208.115451 151.6
[M+CH3COO]- 222.131101 179.5
[M+Na-2H]- 184.091916 138.2
[M]+ 163.11670142 125.0
[M]- 163.11779858 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.