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

55
Patents

245.10275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 150.5
[M+Na]+ 268.09197 156.7
[M-H]- 244.09547 153.5
[M+NH4]+ 263.13657 169.6
[M+K]+ 284.06591 154.6
[M+H-H2O]+ 228.10001 142.1
[M+HCOO]- 290.10095 169.1
[M+CH3COO]- 304.11660 190.9
[M+Na-2H]- 266.07742 156.6
[M]+ 245.10220 144.5
[M]- 245.10330 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