CID 131492714

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

Structural Information

Molecular Formula
C7H12F3NO
SMILES
CC1CNCCC(O1)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c1-5-4-11-3-2-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKey
OPZMNTLJZPVLJS-UHFFFAOYSA-N
Compound name
2-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 137.8
[M+Na]+ 206.07632 143.5
[M+NH4]+ 201.12092 142.5
[M+K]+ 222.05026 141.4
[M-H]- 182.07982 134.8
[M+Na-2H]- 204.06177 139.7
[M]+ 183.08655 137.4
[M]- 183.08765 137.4
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.