CID 65102380

2,2-dimethyl-6-(trifluoromethyl)morpholine

Structural Information

Molecular Formula
C7H12F3NO
SMILES
CC1(CNCC(O1)C(F)(F)F)C
InChI
InChI=1S/C7H12F3NO/c1-6(2)4-11-3-5(12-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKey
UJMIFBJIOQFGBT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-(trifluoromethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 136.1
[M+Na]+ 206.07632 143.4
[M-H]- 182.07982 133.5
[M+NH4]+ 201.12092 154.8
[M+K]+ 222.05026 142.6
[M+H-H2O]+ 166.08436 128.9
[M+HCOO]- 228.08530 148.7
[M+CH3COO]- 242.10095 177.0
[M+Na-2H]- 204.06177 142.2
[M]+ 183.08655 128.1
[M]- 183.08765 128.1
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