CID 71757070

1423034-08-5

Structural Information

Molecular Formula
C12H18F3N
SMILES
C1C2CC3(CC1CC(C2)(C3)C(F)(F)F)CN
InChI
InChI=1S/C12H18F3N/c13-12(14,15)11-4-8-1-9(5-11)3-10(2-8,6-11)7-16/h8-9H,1-7,16H2
InChIKey
GIXIOOSUIVMGTF-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-1-adamantyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.13913 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14641 145.0
[M+Na]+ 256.12835 150.3
[M+NH4]+ 251.17295 156.2
[M+K]+ 272.10229 141.4
[M-H]- 232.13185 139.4
[M+Na-2H]- 254.11380 143.0
[M]+ 233.13858 144.1
[M]- 233.13968 144.1
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

No patent data available for this compound.