CID 130017916

25899-45-0

Structural Information

Molecular Formula
C10H16F3N
SMILES
C1CC2(CCC1(CC2)CN)C(F)(F)F
InChI
InChI=1S/C10H16F3N/c11-10(12,13)9-4-1-8(7-14,2-5-9)3-6-9/h1-7,14H2
InChIKey
OEBUWIWEOKGLDV-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-1-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13077 149.9
[M+Na]+ 230.11271 155.1
[M-H]- 206.11621 142.3
[M+NH4]+ 225.15731 176.4
[M+K]+ 246.08665 151.4
[M+H-H2O]+ 190.12075 143.2
[M+HCOO]- 252.12169 157.2
[M+CH3COO]- 266.13734 158.8
[M+Na-2H]- 228.09816 160.8
[M]+ 207.12294 144.0
[M]- 207.12404 144.0
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.