CID 63363393

N-(2,2,2-trifluoroethyl)oxan-3-amine

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(COC1)NCC(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)5-11-6-2-1-3-12-4-6/h6,11H,1-5H2
InChIKey
ZNAJQMXLLJBWBB-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)oxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 136.1
[M+Na]+ 206.076318 141.0
[M-H]- 182.079824 135.4
[M+NH4]+ 201.120923 154.0
[M+K]+ 222.050258 140.7
[M+H-H2O]+ 166.084360 127.9
[M+HCOO]- 228.085301 152.5
[M+CH3COO]- 242.100951 181.1
[M+Na-2H]- 204.061766 142.4
[M]+ 183.08655142 128.0
[M]- 183.08764858 128.0
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.