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

2
Patents

181.10783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.115106 137.5
[M+Na]+ 204.097048 143.0
[M-H]- 180.100554 136.0
[M+NH4]+ 199.141653 158.6
[M+K]+ 220.070988 141.0
[M+H-H2O]+ 164.105090 130.4
[M+HCOO]- 226.106031 153.7
[M+CH3COO]- 240.121681 181.1
[M+Na-2H]- 202.082496 142.4
[M]+ 181.10728142 127.1
[M]- 181.10837858 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