CID 83914427

[3-(trifluoromethyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC(CC1CN)C(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)6-2-1-5(3-6)4-11/h5-6H,1-4,11H2
InChIKey
KCEHTRCWTGSFSC-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.09218 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 132.6
[M+Na]+ 190.081398 139.3
[M-H]- 166.084904 131.4
[M+NH4]+ 185.126003 154.3
[M+K]+ 206.055338 137.3
[M+H-H2O]+ 150.089440 125.2
[M+HCOO]- 212.090381 151.1
[M+CH3COO]- 226.106031 179.4
[M+Na-2H]- 188.066846 135.1
[M]+ 167.09163142 123.9
[M]- 167.09272858 123.9
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

patents stripe