CID 61776704

N-(2,2,2-trifluoroethyl)cyclobutanamine hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CC(C1)NCC(F)(F)F
InChI
InChI=1S/C6H10F3N/c7-6(8,9)4-10-5-2-1-3-5/h5,10H,1-4H2
InChIKey
HVJJOSAIKKAKKZ-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)cyclobutanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

153.07654 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 129.0
[M+Na]+ 176.065758 134.3
[M-H]- 152.069264 128.6
[M+NH4]+ 171.110363 143.3
[M+K]+ 192.039698 136.1
[M+H-H2O]+ 136.073800 116.6
[M+HCOO]- 198.074741 147.4
[M+CH3COO]- 212.090391 181.4
[M+Na-2H]- 174.051206 134.7
[M]+ 153.07599142 131.1
[M]- 153.07708858 131.1
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