CID 22337633

[4-(trifluoromethyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C8H14F3N
SMILES
C1CC(CCC1CN)C(F)(F)F
InChI
InChI=1S/C8H14F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2
InChIKey
XAKIXQQQAQHCMN-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

181.10783 Da
Monoisotopic Mass

2.1
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 156.9
[M+K]+ 220.070988 140.7
[M+H-H2O]+ 164.105090 129.8
[M+HCOO]- 226.106031 153.6
[M+CH3COO]- 240.121681 182.6
[M+Na-2H]- 202.082496 140.5
[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