CID 129606167

2102412-83-7

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC(C1)(CCN)C(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)6(4-5-11)2-1-3-6/h1-5,11H2
InChIKey
XAPDKINLWUOIIP-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)cyclobutyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 136.1
[M+Na]+ 190.081398 141.9
[M-H]- 166.084904 135.4
[M+NH4]+ 185.126003 151.5
[M+K]+ 206.055338 143.1
[M+H-H2O]+ 150.089440 124.8
[M+HCOO]- 212.090381 153.5
[M+CH3COO]- 226.106031 183.2
[M+Na-2H]- 188.066846 141.1
[M]+ 167.09163142 137.8
[M]- 167.09272858 137.8
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

No patent data available for this compound.