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]+ 168.09946 136.1
[M+Na]+ 190.08140 141.9
[M-H]- 166.08490 135.4
[M+NH4]+ 185.12600 151.5
[M+K]+ 206.05534 143.1
[M+H-H2O]+ 150.08944 124.8
[M+HCOO]- 212.09038 153.5
[M+CH3COO]- 226.10603 183.2
[M+Na-2H]- 188.06685 141.1
[M]+ 167.09163 137.8
[M]- 167.09273 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.