CID 138040356

2247102-85-6

Structural Information

Molecular Formula
C10H16F3N
SMILES
C1CC2CCC1CC2(CN)C(F)(F)F
InChI
InChI=1S/C10H16F3N/c11-10(12,13)9(6-14)5-7-1-3-8(9)4-2-7/h7-8H,1-6,14H2
InChIKey
CPPJUNHNRYSACA-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)-2-bicyclo[2.2.2]octanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12349 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13077 148.8
[M+Na]+ 230.11271 153.7
[M-H]- 206.11621 141.2
[M+NH4]+ 225.15731 173.6
[M+K]+ 246.08665 150.2
[M+H-H2O]+ 190.12075 142.4
[M+HCOO]- 252.12169 156.1
[M+CH3COO]- 266.13734 192.2
[M+Na-2H]- 228.09816 158.3
[M]+ 207.12294 142.9
[M]- 207.12404 142.9
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.