CID 20505658

[1-(trifluoromethyl)cyclohexyl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H14F3N
SMILES
C1CCC(CC1)(CN)C(F)(F)F
InChI
InChI=1S/C8H14F3N/c9-8(10,11)7(6-12)4-2-1-3-5-7/h1-6,12H2
InChIKey
YSCQHUCCSWHDLL-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.10783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11511 137.5
[M+Na]+ 204.09705 143.0
[M-H]- 180.10055 136.0
[M+NH4]+ 199.14165 158.6
[M+K]+ 220.07099 141.0
[M+H-H2O]+ 164.10509 130.4
[M+HCOO]- 226.10603 153.7
[M+CH3COO]- 240.12168 181.1
[M+Na-2H]- 202.08250 142.4
[M]+ 181.10728 127.1
[M]- 181.10838 127.1
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