CID 63898476

1-cyclopentyl-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CCC(C1)C(C(F)(F)F)N
InChI
InChI=1S/C7H12F3N/c8-7(9,10)6(11)5-3-1-2-4-5/h5-6H,1-4,11H2
InChIKey
AODCHWTZHXHHJG-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

167.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09946 133.3
[M+Na]+ 190.08140 138.8
[M-H]- 166.08490 131.9
[M+NH4]+ 185.12600 154.7
[M+K]+ 206.05534 137.3
[M+H-H2O]+ 150.08944 125.7
[M+HCOO]- 212.09038 150.9
[M+CH3COO]- 226.10603 179.1
[M+Na-2H]- 188.06685 135.2
[M]+ 167.09163 123.6
[M]- 167.09273 123.6
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

patents stripe