CID 73994585

2-methyl-6-(trifluoromethyl)morpholin-3-one

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
CC1C(=O)NCC(O1)C(F)(F)F
InChI
InChI=1S/C6H8F3NO2/c1-3-5(11)10-2-4(12-3)6(7,8)9/h3-4H,2H2,1H3,(H,10,11)
InChIKey
CKSGZJRFOAFLOK-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 133.9
[M+Na]+ 206.03994 141.9
[M-H]- 182.04344 131.5
[M+NH4]+ 201.08454 150.7
[M+K]+ 222.01388 140.9
[M+H-H2O]+ 166.04798 126.1
[M+HCOO]- 228.04892 147.3
[M+CH3COO]- 242.06457 176.8
[M+Na-2H]- 204.02539 138.7
[M]+ 183.05017 126.4
[M]- 183.05127 126.4
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.