CID 21916235

(cyclobutylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC(C1)CNCC(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)5-11-4-6-2-1-3-6/h6,11H,1-5H2
InChIKey
BOEIOUKOPAHQTE-UHFFFAOYSA-N
Compound name
N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

167.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 133.8
[M+Na]+ 190.081398 138.7
[M-H]- 166.084904 133.1
[M+NH4]+ 185.126003 147.5
[M+K]+ 206.055338 140.1
[M+H-H2O]+ 150.089440 121.1
[M+HCOO]- 212.090381 151.8
[M+CH3COO]- 226.106031 184.3
[M+Na-2H]- 188.066846 138.9
[M]+ 167.09163142 136.2
[M]- 167.09272858 136.2
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

patents stripe