CID 138039599

7-methyl-7-(trifluoromethyl)-1,4-oxazepane

Structural Information

Molecular Formula
C7H12F3NO
SMILES
CC1(CCNCCO1)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c1-6(7(8,9)10)2-3-11-4-5-12-6/h11H,2-5H2,1H3
InChIKey
WUEVOBPRQVFUMN-UHFFFAOYSA-N
Compound name
7-methyl-7-(trifluoromethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 135.2
[M+Na]+ 206.07632 140.8
[M+NH4]+ 201.12092 141.1
[M+K]+ 222.05026 137.3
[M-H]- 182.07982 132.2
[M+Na-2H]- 204.06177 138.8
[M]+ 183.08655 134.9
[M]- 183.08765 134.9
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.