CID 32534

(+-)-endo-n-(p-(trifluoromethyl)benzyl)-2-bornanamine hydrobromide

Structural Information

Molecular Formula
C18H24F3N
SMILES
CC1(C2CCC1(C(C2)NCC3=CC=C(C=C3)C(F)(F)F)C)C
InChI
InChI=1S/C18H24F3N/c1-16(2)14-8-9-17(16,3)15(10-14)22-11-12-4-6-13(7-5-12)18(19,20)21/h4-7,14-15,22H,8-11H2,1-3H3
InChIKey
LWXVGXSYGSTWMX-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1861 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19338 172.5
[M+Na]+ 334.17532 180.7
[M-H]- 310.17882 174.9
[M+NH4]+ 329.21992 196.5
[M+K]+ 350.14926 175.0
[M+H-H2O]+ 294.18336 165.4
[M+HCOO]- 356.18430 188.6
[M+CH3COO]- 370.19995 209.1
[M+Na-2H]- 332.16077 174.2
[M]+ 311.18555 168.2
[M]- 311.18665 168.2
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.