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

22
Patents

167.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09946 133.8
[M+Na]+ 190.08140 138.7
[M-H]- 166.08490 133.1
[M+NH4]+ 185.12600 147.5
[M+K]+ 206.05534 140.1
[M+H-H2O]+ 150.08944 121.1
[M+HCOO]- 212.09038 151.8
[M+CH3COO]- 226.10603 184.3
[M+Na-2H]- 188.06685 138.9
[M]+ 167.09163 136.2
[M]- 167.09273 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