CID 130167257

2-(trifluoromethyl)oxan-4-amine

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1COC(CC1N)C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5H,1-3,10H2
InChIKey
XGTXXWPCMBJBCB-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.07144 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 131.8
[M+Na]+ 192.060658 138.2
[M-H]- 168.064164 131.3
[M+NH4]+ 187.105263 150.4
[M+K]+ 208.034598 137.8
[M+H-H2O]+ 152.068700 124.2
[M+HCOO]- 214.069641 147.9
[M+CH3COO]- 228.085291 178.5
[M+Na-2H]- 190.046106 137.0
[M]+ 169.07089142 122.8
[M]- 169.07198858 122.8
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

patents stripe