CID 12008691

144647-63-2

Structural Information

Molecular Formula
C12H18F3N
SMILES
C1C2CC3CC1CC(C2)(C3)C(C(F)(F)F)N
InChI
InChI=1S/C12H18F3N/c13-12(14,15)10(16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6,16H2
InChIKey
BMUSVPVYXZMATB-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.13913 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14641 158.3
[M+Na]+ 256.12835 160.5
[M-H]- 232.13185 149.2
[M+NH4]+ 251.17295 182.4
[M+K]+ 272.10229 156.6
[M+H-H2O]+ 216.13639 150.6
[M+HCOO]- 278.13733 160.3
[M+CH3COO]- 292.15298 165.1
[M+Na-2H]- 254.11380 166.4
[M]+ 233.13858 151.6
[M]- 233.13968 151.6
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.