CID 75480518

N-benzyl-3-(trifluoromethyl)oxolan-3-amine

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1COCC1(C(F)(F)F)NCC2=CC=CC=C2
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)11(6-7-17-9-11)16-8-10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKey
GOWNSQPPHVFBFE-UHFFFAOYSA-N
Compound name
N-benzyl-3-(trifluoromethyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

245.10275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 150.5
[M+Na]+ 268.091968 156.7
[M-H]- 244.095474 153.5
[M+NH4]+ 263.136573 169.6
[M+K]+ 284.065908 154.6
[M+H-H2O]+ 228.100010 142.1
[M+HCOO]- 290.100951 169.1
[M+CH3COO]- 304.116601 190.9
[M+Na-2H]- 266.077416 156.6
[M]+ 245.10220142 144.5
[M]- 245.10329858 144.5
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